(1S,2S)-2-[[(3S)-7-azanyl-3-[[(3R)-3-[[(1S,2S)-2-[[(3S)-7-azanyl-3-[[(3R)-3-[[(1S,2S)-2-[[(3S)-3-azanyl-4-(4-hydroxyphenyl)butanoyl]amino]cyclohexyl]carbonylamino]-4-methyl-pentanoyl]amino]heptanoyl]amino]cyclohexyl]carbonylamino]-4-methyl-pentanoyl]amino]heptanoyl]amino]-N-[(3R)-1-[[(3S)-1,7-bis(azanyl)-1-oxidanylidene-heptan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-3-yl]cyclohexane-1-carboxamide

Systemtic Name: (1S,2S)-2-[[(3S)-7-azanyl-3-[[(3R)-3-[[(1S,2S)-2-[[(3S)-7-azanyl-3-[[(3R)-3-[[(1S,2S)-2-[[(3S)-3-azanyl-4-(4-hydroxyphenyl)butanoyl]amino]cyclohexyl]carbonylamino]-4-methyl-pentanoyl]amino]heptanoyl]amino]cyclohexyl]carbonylamino]-4-methyl-pentanoyl]amino]heptanoyl]amino]-N-[(3R)-1-[[(3S)-1,7-bis(azanyl)-1-oxidanylidene-heptan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-3-yl]cyclohexane-1-carboxamide Openeye Name: (1S,2S)-2-[[(3S)-7-amino-3-[[(3R)-3-[[(1S,2S)-2-[[(3S)-7-amino-3-[[(3R)-3-[[(1S,2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]cyclohexanecarbonyl]amino]-4-methyl-pentanoyl]amino]heptanoyl]amino]cyclohexanecarbonyl]amino]-4-methyl-pentanoyl]amino]heptanoyl]amino]-N-[(1R)-3-[[(1S)-5-amino-1-(2-amino-2-oxo-ethyl)pentyl]amino]-1-isopropyl-3-oxo-propyl]cyclohexanecarboxamide CAS Name: (1S,2S)-2-[[(3S)-7-amino-3-[[(3R)-3-[[[(1S,2S)-2-[[(3S)-7-amino-3-[[(3R)-3-[[[(1S,2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)-1-oxobutyl]amino]cyclohexyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoheptyl]amino]cyclohexyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoheptyl]amino]-N-[(3R)-1-[[(3S)-1,7-diamino-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]-1-cyclohexanecarboxamide IUPAC Name: (1S,2S)-2-[[(3S)-7-amino-3-[[(3R)-3-[[(1S,2S)-2-[[(3S)-7-amino-3-[[(3R)-3-[[(1S,2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]cyclohexanecarbonyl]amino]-4-methylpentanoyl]amino]heptanoyl]amino]cyclohexanecarbonyl]amino]-4-methylpentanoyl]amino]heptanoyl]amino]-N-[(3R)-1-[[(3S)-1,7-diamino-1-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-3-yl]cyclohexane-1-carboxamide Traditional Name: (1S,2S)-2-[[(3S)-7-amino-3-[[(3R)-3-[[(1S,2S)-2-[[(3S)-7-amino-3-[[(3R)-3-[[(1S,2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]cyclohexanecarbonyl]amino]-4-methyl-pentanoyl]amino]heptanoyl]amino]cyclohexanecarbonyl]amino]-4-methyl-pentanoyl]amino]heptanoyl]amino]-N-[(1R)-3-[[(1S)-5-amino-1-(2-amino-2-keto-ethyl)pentyl]amino]-1-isopropyl-3-keto-propyl]cyclohexanecarboxamide Formula: C70H122N14O11 MolecularWeight: 1335.80488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)NC(CCCCN)CC(=O)N)NC(=O)C1CCCCC1NC(=O)CC(CCCCN)NC(=O)CC(C(C)C)NC(=O)C2CCCCC2NC(=O)CC(CCCCN)NC(=O)CC(C(C)C)NC(=O)C3CCCCC3NC(=O)CC(CC4=CC=C(C=C4)O)N

Isomeric SMILES

CC(C)[C@@H](CC(=O)N[C@@H](CCCCN)CC(=O)N)NC(=O)[C@H]1CCCC[C@@H]1NC(=O)C[C@H](CCCCN)NC(=O)C[C@H](C(C)C)NC(=O)[C@H]2CCCC[C@@H]2NC(=O)C[C@H](CCCCN)NC(=O)C[C@H](C(C)C)NC(=O)[C@H]3CCCC[C@@H]3NC(=O)C[C@H](CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C70H122N14O11/c1-43(2)58(40-65(90)76-48(37-61(75)86)19-13-16-32-71)82-69(94)53-23-8-11-26-56(53)80-63(88)39-50(21-15-18-34-73)78-67(92)42-60(45(5)6)84-70(95)54-24-9-12-27-57(54)81-64(89)38-49(20-14-17-33-72)77-66(91)41-59(44(3)4)83-68(93)52-22-7-10-25-55(52)79-62(87)36-47(74)35-46-28-30-51(85)31-29-46/h28-31,43-45,47-50,52-60,85H,7-27,32-42,71-74H2,1-6H3,(H2,75,86)(H,76,90)(H,77,91)(H,78,92)(H,79,87)(H,80,88)(H,81,89)(H,82,94)(H,83,93)(H,84,95)/t47-,48-,49-,50-,52-,53-,54-,55-,56-,57-,58+,59+,60+/m0/s1