Chemical Identifiers |
- Formula
- C47H68N14O9S
- IUPAC Name
(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide
- Canonical SMILES
-
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CN=CN4)NC(=O)C
- InChI
-
InChI=1S/C47H68N14O9S/c1-24(2)15-35(44(67)57-34(40(48)63)13-14-71-8)59-46(69)38(18-31-21-50-23-53-31)58-41(64)26(5)55-47(70)39(25(3)4)61-42(65)27(6)54-43(66)36(16-29-19-51-33-12-10-9-11-32(29)33)60-45(68)37(56-28(7)62)17-30-20-49-22-52-30/h9-12,19-27,34-39,51H,13-18H2,1-8H3,(H2,48,63)(H,49,52)(H,50,53)(H,54,66)(H,55,70)(H,56,62)(H,57,67)(H,58,64)(H,59,69)(H,60,68)(H,61,65)/t26-,27+,34+,35+,36+,37+,38+,39+/m1/s1
- InChIKey
-
FLMAIOAFTCGWGR-UGUXQERMSA-N
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