(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-hydroxy-2-[[(2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-hydroxy-2-[[[(2S)-1-[(2S)-4-methyl-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]pentyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-hydroxy-2-[[(2S)-1-[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-hydroxy-4-keto-2-[[(2S)-1-[(2S)-4-methyl-2-[[(2S)-prolyl]amino]pentanoyl]prolyl]amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-4-methyl-valeric acid Formula: C55H78N10O14 MolecularWeight: 1103.26642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC(=O)O)NC(=O)C4CCCN4C(=O)C(CC(C)C)NC(=O)C5CCCN5

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@@H]5CCCN5

InChI

InChI=1S/C55H78N10O14/c1-29(2)21-38(48(71)64-44(28-66)52(75)63-43(55(78)79)23-31(5)6)58-50(73)40(25-33-27-57-36-12-8-7-11-35(33)36)60-49(72)39(24-32-15-17-34(67)18-16-32)59-51(74)41(26-46(68)69)61-53(76)45-14-10-20-65(45)54(77)42(22-30(3)4)62-47(70)37-13-9-19-56-37/h7-8,11-12,15-18,27,29-31,37-45,56-57,66-67H,9-10,13-14,19-26,28H2,1-6H3,(H,58,73)(H,59,74)(H,60,72)(H,61,76)(H,62,70)(H,63,75)(H,64,71)(H,68,69)(H,78,79)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1