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

Systemtic Name: 2-[[2-[[5-azanyl-2-[[6-azanyl-2-[[2-[[2-[2-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]-3-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[5-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-oxo-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[5-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-1,5-dioxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[5-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[5-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[(2,4-diamino-4-keto-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-keto-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C51H76N12O16 MolecularWeight: 1113.21994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(=O)N)N

InChI

InChI=1S/C51H76N12O16/c1-5-27(4)43(63-41(68)25-56-45(72)35(21-28-9-13-30(64)14-10-28)59-44(71)32(53)23-40(55)67)50(77)61-36(22-29-11-15-31(65)16-12-29)48(75)57-33(8-6-7-19-52)46(73)58-34(17-18-39(54)66)47(74)60-37(24-42(69)70)49(76)62-38(51(78)79)20-26(2)3/h9-16,26-27,32-38,43,64-65H,5-8,17-25,52-53H2,1-4H3,(H2,54,66)(H2,55,67)(H,56,72)(H,57,75)(H,58,73)(H,59,71)(H,60,74)(H,61,77)(H,62,76)(H,63,68)(H,69,70)(H,78,79)