3-[[4-azanyl-2-[[2-[[6-azanyl-2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-[[2-[[1-[[1-[[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-azanyl-2-[[2-[[6-azanyl-2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-[[2-[[1-[[1-[[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-amino-2-[[2-[[6-amino-2-[(2,4-diamino-4-oxo-butanoyl)amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-4-[[2-[[2-[[1-[(1-carboxy-2-hydroxy-propyl)carbamoyl]-3-methyl-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[4-amino-2-[[2-[[6-amino-2-[(2,4-diamino-1,4-dioxobutyl)amino]-1-oxohexyl]amino]-3-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-4-[[2-[[1-[[1-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[4-amino-2-[[2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-[[2-[[1-[[1-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[4-amino-2-[[2-[[6-amino-2-[(2,4-diamino-4-keto-butanoyl)amino]hexanoyl]amino]-3-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]-4-[[2-[[2-[[1-[(1-carboxy-2-hydroxy-propyl)carbamoyl]-3-methyl-butyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C45H72N12O16 MolecularWeight: 1037.12398

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)N)N

InChI

InChI=1S/C45H72N12O16/c1-6-22(4)36(56-40(67)27(9-7-8-14-46)52-38(65)26(47)17-32(48)60)44(71)55-30(18-33(49)61)42(69)54-31(19-35(63)64)39(66)50-20-34(62)51-29(16-24-10-12-25(59)13-11-24)41(68)53-28(15-21(2)3)43(70)57-37(23(5)58)45(72)73/h10-13,21-23,26-31,36-37,58-59H,6-9,14-20,46-47H2,1-5H3,(H2,48,60)(H2,49,61)(H,50,66)(H,51,62)(H,52,65)(H,53,68)(H,54,69)(H,55,71)(H,56,67)(H,57,70)(H,63,64)(H,72,73)