1-[6-azanyl-2-[[2-[2-[[5-azanyl-2-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[6-azanyl-2-[[2-[2-[[5-azanyl-2-[[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[6-amino-2-[[2-[[2-[[5-amino-2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-5-hydroxy-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[6-amino-2-[[2-[[2-[[5-amino-2-[[2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-5-hydroxy-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[6-amino-2-[[2-[[2-[[5-amino-2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-5-hydroxy-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[6-amino-2-[[2-[[2-[[5-amino-2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-keto-pentanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]hexanoyl]proline Formula: C40H70N10O12 MolecularWeight: 883.0436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)O)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)C)N

InChI

InChI=1S/C40H70N10O12/c1-7-23(6)33(38(59)47-26(11-8-9-17-41)39(60)50-18-10-12-28(50)40(61)62)49-30(52)20-44-34(55)24(13-15-29(42)51)45-36(57)27(19-21(2)3)48-35(56)25(14-16-31(53)54)46-37(58)32(43)22(4)5/h21-28,32-33H,7-20,41,43H2,1-6H3,(H2,42,51)(H,44,55)(H,45,57)(H,46,58)(H,47,59)(H,48,56)(H,49,52)(H,53,54)(H,61,62)