Chemical Identifiers |
- Formula
- C53H70N14O11S2
- IUPAC Name
(4S,7R,10S,13S,16S,19R)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-10-[3-(diaminomethylideneamino)propyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
- Canonical SMILES
-
C[C@H]([C@@H]1C(=O)N[C@H](C(SSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN=C(N)N)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CNC6=CC=CC=C65)N)(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)O
- InChI
-
InChI=1S/C53H70N14O11S2/c1-26(68)41(44(55)71)65-51(78)43-53(3,4)80-79-25-40(64-45(72)34(54)21-29-23-59-35-12-7-5-10-32(29)35)49(76)62-38(20-28-15-17-31(70)18-16-28)47(74)63-39(22-30-24-60-36-13-8-6-11-33(30)36)48(75)61-37(14-9-19-58-52(56)57)46(73)66-42(27(2)69)50(77)67-43/h5-8,10-13,15-18,23-24,26-27,34,37-43,59-60,68-70H,9,14,19-22,25,54H2,1-4H3,(H2,55,71)(H,61,75)(H,62,76)(H,63,74)(H,64,72)(H,65,78)(H,66,73)(H,67,77)(H4,56,57,58)/t26-,27-,34-,37+,38+,39+,40+,41+,42-,43+/m1/s1
- InChIKey
-
UGJHJTQROKIYLL-CCDPMWLASA-N
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