2-[[2-[[2-[[4-[[4-azanyl-2-[[5-azanyl-2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-6-methyl-2-oxidanyl-3-oxidanylidene-heptan-2-yl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[[2-[[4-[[4-azanyl-2-[[5-azanyl-2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-6-methyl-2-oxidanyl-3-oxidanylidene-heptan-2-yl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[[2-[[3-[[4-amino-2-[[5-amino-2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-4-oxo-butanoyl]amino]-1-hydroxy-1,5-dimethyl-2-oxo-hexyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[2-[[4-[[4-amino-2-[[5-amino-2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-hydroxy-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-1,4-dioxobutyl]amino]-2-hydroxy-6-methyl-3-oxoheptan-2-yl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[[2-[[4-[[4-amino-2-[[5-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-2-hydroxy-6-methyl-3-oxoheptan-2-yl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[[2-[[3-[[4-amino-2-[[5-amino-2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-hydroxy-propanoyl]amino]-5-keto-pentanoyl]amino]-4-keto-butanoyl]amino]-1-hydroxy-2-keto-1,5-dimethyl-hexyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butyric acid Formula: C41H74N10O13 MolecularWeight: 915.08546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H74N10O13/c1-12-22(10)32(39(61)49-31(21(8)9)40(62)63)50-38(60)30(20(6)7)51-41(11,64)33(55)24(15-18(2)3)46-35(57)25(16-28(43)54)47-34(56)23(13-14-27(42)53)45-36(58)26(17-52)48-37(59)29(44)19(4)5/h18-26,29-32,51-52,64H,12-17,44H2,1-11H3,(H2,42,53)(H2,43,54)(H,45,58)(H,46,57)(H,47,56)(H,48,59)(H,49,61)(H,50,60)(H,62,63)