L-Tyrosyl-L-leucyl-L-arginyl-L-isoleucyl-L-valyl-N¹-[(4R,7S,13S,16S,19S,22S,25R)-22-(3-carbamimidamidopropyl)-13-(2-carboxyethyl)-4-[(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)carbamoyl]-7, 19-bis(hydroxymethyl)-16-isopropyl-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaazacyclohexacosan-25-yl]-L-glutamamide

More details:

• Systematic name

  L-Tyrosyl-L-leucyl-L-arginyl-L-isoleucyl-L-valyl-N~1~-[(4R,7S,13S,16S,19S,22S,25R)-22-(3-carbamimidamidopropyl)-13-(2-carboxyethyl)-4-[(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)carbamoyl]-7, 19-bis(hydroxymethyl)-16-isopropyl-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaazacyclohexacosan-25-yl]-L-glutamamide

• SMILES

  CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCNC(=N)N)CO)C(C)C)CCC(=O)O)CO)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccc(cc3)O)N

• Std. InChi

  InChI=1S/C78H123N23O23S2/c1-9-41(8)62(101-68(115)47(18-14-28-86-78(83)84)91-69(116)50(29-38(2)3)95-63(110)45(79)30-43-19-21-44(104)22-20-43)75(122)100-61(40(6)7)74(121)94-49(23-25-56(80)105)67(114)98-55-37-126-125-36-54(65(112)88-32-57(106)89-51(76(123)124)31-42-15-11-10-12-16-42)97-70(117)52(34-102)90-58(107)33-87-64(111)48(24-26-59(108)109)93-73(120)60(39(4)5)99-71(118)53(35-103)96-66(113)46(92-72(55)119)17-13-27-85-77(81)82/h10-12,15-16,19-22,38-41,45-55,60-62,102-104H,9,13-14,17-18,23-37,79H2,1-8H3,(H2,80,105)(H,87,111)(H,88,112)(H,89,106)(H,90,107)(H,91,116)(H,92,119)(H,93,120)(H,94,121)(H,95,110)(H,96,113)(H,97,117)(H,98,114)(H,99,118)(H,100,122)(H,101,115)(H,108,109)(H,123,124)(H4,81,82,85)(H4,83,84,86)/t41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-,61-,62-/m0/s1

• Std. InChIKey

  GVIYUKXRXPXMQM-BPXGDYAESA-N

• Cite this record

  CSID:57582224, http://www.chemspider.com/Chemical-Structure.57582224.html (accessed 16:17, May 22, 2024)