2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-azanyl-2-[[5-azanyl-2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-azanyl-2-[[5-azanyl-2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-oxidanylidene-pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[5-amino-2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-5-oxo-pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[5-amino-2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-1,5-dioxopentyl]amino]-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[5-amino-2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[5-amino-2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-5-keto-pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C51H86N12O21 MolecularWeight: 1203.29634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C51H86N12O21/c1-7-26(6)41(63-48(80)32(20-24(2)3)59-43(75)28(10-8-9-19-52)56-44(76)29(12-15-36(54)65)55-42(74)27(53)11-16-37(66)67)50(82)62-35(23-64)49(81)58-30(13-17-38(68)69)45(77)57-31(14-18-39(70)71)46(78)60-33(22-40(72)73)47(79)61-34(51(83)84)21-25(4)5/h24-35,41,64H,7-23,52-53H2,1-6H3,(H2,54,65)(H,55,74)(H,56,76)(H,57,77)(H,58,81)(H,59,75)(H,60,78)(H,61,79)(H,62,82)(H,63,80)(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,83,84)