4-[[5-azanyl-2-[[4-azanyl-2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[[5-azanyl-1-[[1-[[1-[[1-[[3-(4-hydroxyphenyl)-1-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[5-azanyl-2-[[4-azanyl-2-[(2-azanyl-3-oxidanyl-butanoyl)amino]-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[[5-azanyl-1-[[1-[[1-[[1-[[3-(4-hydroxyphenyl)-1-[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[5-amino-2-[[4-amino-2-[(2-amino-3-hydroxy-butanoyl)amino]-4-oxo-butanoyl]amino]-5-oxo-pentanoyl]amino]-5-[[4-amino-1-[[1-[[2-[[1-[[2-[(1-carboxy-2-methyl-propyl)amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-oxo-butyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[5-amino-2-[[4-amino-2-[(2-amino-3-hydroxy-1-oxobutyl)amino]-1,4-dioxobutyl]amino]-1,5-dioxopentyl]amino]-5-[[5-amino-1-[[3-hydroxy-1-[[3-hydroxy-1-[[1-[[1-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[5-amino-2-[[4-amino-2-[(2-amino-3-hydroxybutanoyl)amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-[[5-amino-1-[[3-hydroxy-1-[[3-hydroxy-1-[[1-[[1-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[[5-amino-2-[[4-amino-2-[(2-amino-3-hydroxy-butanoyl)amino]-4-keto-butanoyl]amino]-5-keto-pentanoyl]amino]-5-[[4-amino-1-[[1-[[2-[[1-[[2-[(1-carboxy-2-methyl-propyl)amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-keto-butyl]amino]-5-keto-valeric acid Formula: C50H79N13O20 MolecularWeight: 1182.23736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(C(C)O)N

InChI

InChI=1S/C50H79N13O20/c1-21(2)17-30(44(76)59-31(18-25-7-9-26(67)10-8-25)46(78)62-39(22(3)4)50(82)83)58-47(79)33(20-64)61-49(81)40(24(6)66)63-43(75)28(12-15-35(52)69)55-42(74)29(13-16-37(71)72)56-41(73)27(11-14-34(51)68)57-45(77)32(19-36(53)70)60-48(80)38(54)23(5)65/h7-10,21-24,27-33,38-40,64-67H,11-20,54H2,1-6H3,(H2,51,68)(H2,52,69)(H2,53,70)(H,55,74)(H,56,73)(H,57,77)(H,58,79)(H,59,76)(H,60,80)(H,61,81)(H,62,78)(H,63,75)(H,71,72)(H,82,83)