2-[[4-azanyl-2-[2-[2-[[2-[[2-[[6-azanyl-2-[(2-azanyl-3-methyl-butanoyl)amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]propanoylamino]-4-oxidanylidene-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[4-azanyl-2-[2-[2-[[2-[[2-[[6-azanyl-2-[(2-azanyl-3-methyl-butanoyl)amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]propanoylamino]-4-oxidanylidene-butanoyl]amino]ethanoic acid Openeye Name: 2-[[4-amino-2-[2-[[2-[[2-[[2-[[6-amino-2-[(2-amino-3-methyl-butanoyl)amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]propanoylamino]-4-oxo-butanoyl]amino]acetic acid CAS Name: 2-[[4-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[(2-amino-3-methyl-1-oxobutyl)amino]-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-1,4-dioxobutyl]amino]acetic acid IUPAC Name: 2-[[4-amino-2-[2-[[2-[[2-[[2-[[6-amino-2-[(2-amino-3-methylbutanoyl)amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoylamino]-4-oxobutanoyl]amino]acetic acid Traditional Name: 2-[[4-amino-2-[2-[[2-[[2-[[2-[[6-amino-2-[(2-amino-3-methyl-butanoyl)amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]propanoylamino]-4-keto-butanoyl]amino]acetic acid Formula: C31H56N10O11 MolecularWeight: 744.83674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NCC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NCC(=O)O)N

InChI

InChI=1S/C31H56N10O11/c1-14(2)23(34)29(50)38-18(9-7-8-10-32)28(49)40-24(15(3)4)31(52)41-25(17(6)42)30(51)35-12-21(44)37-16(5)26(47)39-19(11-20(33)43)27(48)36-13-22(45)46/h14-19,23-25,42H,7-13,32,34H2,1-6H3,(H2,33,43)(H,35,51)(H,36,48)(H,37,44)(H,38,50)(H,39,47)(H,40,49)(H,41,52)(H,45,46)