(1s,2s)-2-[[(3s)-7-amino-3-[[(1s,2s)-2-[[(1s,2s)-2-[[(3s)-7-amino-3-[[(1s,2s)-2-[[(1s,2s)-2-[[(3s)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]heptanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]heptanoyl]amino]-n-[(1s,2s)-2-[[(3s)-1,7-diamino-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide

Structural Information

Molecular Formula

C₇₃H₁₂₂N₁₄O₁₁

SMILES

C1CC[C@@H]([C@H](C1)C(=O)N[C@H]2CCCC[C@@H]2C(=O)N[C@@H](CCCCN)CC(=O)N)NC(=O)C[C@H](CCCCN)NC(=O)[C@H]3CCCC[C@@H]3NC(=O)[C@H]4CCCC[C@@H]4NC(=O)C[C@H](CCCCN)NC(=O)[C@H]5CCCC[C@@H]5NC(=O)[C@H]6CCCC[C@@H]6NC(=O)C[C@H](CC7=CC=C(C=C7)O)N

InChI

InChI=1S/C73H122N14O11/c74-38-16-13-19-48(43-64(78)89)79-68(93)55-25-4-10-31-61(55)85-72(97)53-23-2-8-29-59(53)83-66(91)45-50(21-15-18-40-76)81-70(95)57-27-6-12-33-63(57)87-73(98)54-24-3-9-30-60(54)84-67(92)44-49(20-14-17-39-75)80-69(94)56-26-5-11-32-62(56)86-71(96)52-22-1-7-28-58(52)82-65(90)42-47(77)41-46-34-36-51(88)37-35-46/h34-37,47-50,52-63,88H,1-33,38-45,74-77H2,(H2,78,89)(H,79,93)(H,80,94)(H,81,95)(H,82,90)(H,83,91)(H,84,92)(H,85,97)(H,86,96)(H,87,98)/t47-,48-,49-,50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1

InChIKey

HVBKUDOTLYVKBI-IWIRLZPWSA-N

Compound name

(1S,2S)-2-[[(3S)-7-amino-3-[[(1S,2S)-2-[[(1S,2S)-2-[[(3S)-7-amino-3-[[(1S,2S)-2-[[(1S,2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]heptanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]heptanoyl]amino]-N-[(1S,2S)-2-[[(3S)-1,7-diamino-1-oxoheptan-3-yl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide

Related CIDs

• CID 101401567