dimethyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-azanyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[2-[[(2S)-1-[(2S)-2-[[(2S)-3-methyl-2-oxidanyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoyl]amino]butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]piperidin-2-yl]carbonylamino]-3-methyl-butanoyl]-methyl-amino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-azanyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[2-[[(2S)-1-[(2S)-2-[[(2S)-3-methyl-2-oxidanyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoyl]amino]butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]piperidin-2-yl]carbonylamino]-3-methyl-butanoyl]-methyl-amino]pentanedioate Openeye Name: dimethyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-hydroxy-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]piperidine-2-carbonyl]amino]-3-methyl-butanoyl]-methyl-amino]pentanedioate CAS Name: (2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[[(2S)-1-[(2S)-2-[[(2S)-2-hydroxy-3-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]-methylamino]-3-methyl-1-oxobutyl]-methylamino]-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]-2-piperidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]-methylamino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-hydroxy-3-methylpentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]-methylamino]-3-methylbutanoyl]-methylamino]-5-oxopentanoyl]amino]-3-methylpentanoyl]piperidine-2-carbonyl]amino]-3-methylbutanoyl]-methylamino]pentanedioate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-hydroxy-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]prolyl]amino]acetyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]pipecoloyl]amino]-3-methyl-butanoyl]-methyl-amino]glutaric acid dimethyl ester Formula: C59H94N10O15 MolecularWeight: 1183.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCCC1C(=O)NC(C(C)C)C(=O)N(C)C(CCC(=O)OC)C(=O)OC)NC(=O)C(CCC(=O)N)N(C)C(=O)C(C(C)C)N(C)C(=O)CNC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)CC)O

Isomeric SMILES

CCC(C)[C@@H](C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CCC(=O)OC)C(=O)OC)NC(=O)[C@H](CCC(=O)N)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)CC)O

InChI

InChI=1S/C59H94N10O15/c1-14-36(7)48(57(80)69-30-20-19-24-42(69)53(76)63-47(34(3)4)56(79)66(10)43(59(82)84-13)27-29-46(72)83-12)64-52(75)40(26-28-44(60)70)65(9)58(81)49(35(5)6)67(11)45(71)33-61-51(74)41-25-21-31-68(41)55(78)39(32-38-22-17-16-18-23-38)62-54(77)50(73)37(8)15-2/h16-18,22-23,34-37,39-43,47-50,73H,14-15,19-21,24-33H2,1-13H3,(H2,60,70)(H,61,74)(H,62,77)(H,63,76)(H,64,75)/t36?,37?,39-,40-,41-,42-,43-,47-,48-,49-,50-/m0/s1