(Z)-N-{[(1R,2Z,4S,5Z,7S,8Z,10S,11Z,13S,14Z,16S,17E,19S,20E,22S,23E,25R,30E,32S,33Z,36Z,38R)-25-{(Z)-[(2S)-2-{(Z)-[(2S)-2-{(Z)-[(2S)-2-Amino-1,4-dihydroxy-4-iminobutylidene]amino}-3-carboxy-1-hydroxypr opylidene]amino}-4-carboxy-1-hydroxybutylidene]amino}-22-(2-carboxyethyl)-3,6,9,12,15,18,21,24,30,33,36-undecahydroxy-32-[(1R)-1-hydroxyethyl]-10-(2-hydroxy-2-iminoethyl)-19-isobutyl-7,13-diisopropyl- 4-methyl-27,28,40,41-tetrathia-2,5,8,11,14,17,20,23,31,34,37-undecaazabicyclo[14.13.13]dotetraconta-2,5,8,11,14,17,20,23,30,33,36-undecaen-38-yl](hydroxy)methylene}-L-leucine

More details:

• Systematic name

  (Z)-N-{[(1R,2Z,4S,5Z,7S,8Z,10S,11Z,13S,14Z,16S,17E,19S,20E,22S,23E,25R,30E,32S,33Z,36Z,38R)-25-{(Z)-[(2S)-2-{(Z)-[(2S)-2-{(Z)-[(2S)-2-Amino-1,4-dihydroxy-4-iminobutylidene]amino}-3-carboxy-1-hydroxypr opylidene]amino}-4-carboxy-1-hydroxybutylidene]amino}-22-(2-carboxyethyl)-3,6,9,12,15,18,21,24,30,33,36-undecahydroxy-32-[(1R)-1-hydroxyethyl]-10-(2-hydroxy-2-iminoethyl)-19-isobutyl-7,13-diisopropyl- 4-methyl-27,28,40,41-tetrathia-2,5,8,11,14,17,20,23,31,34,37-undecaazabicyclo[14.13.13]dotetraconta-2,5,8,11,14,17,20,23,30,33,36-undecaen-38-yl](hydroxy)methylene}-L-leucine

• SMILES

  C[C@@H](O)[C@@H]1N=C(O)[C@@H]2CSSC[C@H](N=C(O)[C@H](CCC(O)=O)N=C(O)[C@H](CC(O)=O)N=C(O)[C@@H](N)CC(=N)O)C(O)=N[C@@H](CCC(O)=O)C(O)=N[C@@H](CC(C)C)C(O)=NC(CSSC[C@H](N=C(O)CN=C1O)C(O)=N[C@@H](CC(C)C)C(O)=O)C(O)=N[C@@H](C(C)C)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](C(C)C)C(O)=N[C@@H](C)C(O)=N2 |c:40,49,57,65,t:4,69,85,92,100,107,112|

• Std. InChi

  InChI=1S/C65H104N18O26S4/c1-25(2)15-34-55(98)80-41-24-113-110-21-38(58(101)77-37(65(108)109)16-26(3)4)71-44(87)20-69-62(105)50(30(10)84)83-61(104)40(78-51(94)29(9)70-63(106)48(27(5)6)81-57(100)35(18-43(68)86)76-64(107)49(28(7)8)82-60(41)103)23-112-111-22-39(59(102)73-32(53(96)75-34)11-13-45(88)89)79-54(97)33(12-14-46(90)91)72-56(99)36(19-47(92)93)74-52(95)31(66)17-42(67)85/h25-41,48-50,84H,11-24,66H2,1-10H3,(H2,67,85)(H2,68,86)(H,69,105)(H,70,106)(H,71,87)(H,72,99)(H,73,102)(H,74,95)(H,75,96)(H,76,107)(H,77,101)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,103)(H,83,104)(H,88,89)(H,90,91)(H,92,93)(H,108,109)/t29-,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41?,48-,49-,50-/m0/s1

• Std. InChIKey

  NSPHQWLKCGGCQR-VHCMLBMDSA-N

• Cite this record

  CSID:84497334, http://www.chemspider.com/Chemical-Structure.84497334.html (accessed 11:10, Apr 24, 2024)