Try beta.chemspider
- 42 of 42 defined stereocentres
(4S,7S)-4-[2-[(1S)-1-[[(1S)-1-[[(1R)-2-[[(1S)-1-[[(1S)-1-[[(1S)-1-[[(1S)-2-[[(1S,2R)-1-[[(1S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-3-amino-1-[[2-[[2-[(2S)-2-[[(1S)-2-[[(1S)-2-[[2-[[(1R)-2-[(2S)-2-[(2S)-2-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-carbamoyl-pentyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]carbamoyl]pentyl]carbamoyl]-3-methyl-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-3-carboxy-propyl]carbamoyl]-2-methyl-butyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-carboxy-propyl]carbamoyl]-3-carboxy-propyl]hydrazino]-7-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-4-carboxy-butanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-carboxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]-9-methylsulfanyl-5,6-dioxo-nonanoic acid
CC[C@@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](Cc6ccccc6)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NN[C@@H](CCC(=O)O)C(=O)C(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](Cc7ccccc7)NC(=O)[C@H]([C@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](Cc8cnc[nH]8)N
InChI=1S/C215H347N61O65S/c1-16-115(10)173(210(337)254-141(67-73-169(297)298)194(321)259-148(94-122-98-232-126-50-24-23-49-124(122)126)199(326)256-143(89-111(2)3)196(323)248-136(58-32-40-83-223)191(318)260-149(96-160(226)285)182(309)235-100-161(286)233-104-165(290)274-85-42-60-156(274)207(334)265-154(108-280)206(333)263-151(105-277)183(310)237-101-162(287)239-117(12)213(340)276-87-44-62-158(276)214(341)275-86-43-61-157(275)208(335)266-153(107-279)204(331)250-134(56-30-38-81-221)189(316)247-133(55-29-37-80-220)188(315)246-132(54-28-36-79-219)187(314)245-131(53-27-35-78-218)186(313)244-130(52-26-34-77-217)185(312)243-129(178(227)305)51-25-33-76-216)270-201(328)146(92-120-45-19-17-20-46-120)258-197(324)144(90-112(4)5)255-192(319)137(59-41-84-231-215(228)229)253-209(336)172(114(8)9)269-179(306)116(11)240-184(311)140(66-72-168(295)296)252-195(322)142(68-74-170(299)300)273-272-128(64-70-166(291)292)177(304)176(303)127(75-88-342-15)242-193(320)139(63-69-159(225)284)251-190(317)135(57-31-39-82-222)249-203(330)152(106-278)264-198(325)145(91-113(6)7)257-200(327)150(97-171(301)302)261-205(332)155(109-281)267-212(339)175(119(14)283)271-202(329)147(93-121-47-21-18-22-48-121)262-211(338)174(118(13)282)268-164(289)103-236-181(308)138(65-71-167(293)294)241-163(288)102-234-180(307)125(224)95-123-99-230-110-238-123/h17-24,45-50,98-99,110-119,125,127-158,172-175,232,272-273,277-283H,16,25-44,51-97,100-109,216-224H2,1-15H3,(H2,225,284)(H2,226,285)(H2,227,305)(H,230,238)(H,233,286)(H,234,307)(H,235,309)(H,236,308)(H,237,310)(H,239,287)(H,240,311)(H,241,288)(H,242,320)(H,243,312)(H,244,313)(H,245,314)(H,246,315)(H,247,316)(H,248,323)(H,249,330)(H,250,331)(H,251,317)(H,252,322)(H,253,336)(H,254,337)(H,255,319)(H,256,326)(H,257,327)(H,258,324)(H,259,321)(H,260,318)(H,261,332)(H,262,338)(H,263,333)(H,264,325)(H,265,334)(H,266,335)(H,267,339)(H,268,289)(H,269,306)(H,270,328)(H,271,329)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H4,228,229,231)/t115-,116-,117-,118+,119+,125+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,155+,156+,157+,158+,172+,173+,174+,175+/m1/s1
YSIXJDSIUMNSGK-DPDNAOFASA-N
CSID:65017738, http://www.chemspider.com/Chemical-Structure.65017738.html (accessed 23:14, Apr 25, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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