5-azanyl-2-[[2-[[2-[2-[[2-[[4-azanyl-2-[[2-[[1-[6-azanyl-2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-4-methyl-pentanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[2-[[2-[2-[[2-[[4-azanyl-2-[[2-[[1-[6-azanyl-2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-4-methyl-pentanoyl]amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-[[2-[2-[[2-[[4-amino-2-[[2-[[1-[6-amino-2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-4-methyl-pentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[[1-[6-amino-2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-[[2-[2-[[2-[[4-amino-2-[[2-[[1-[6-amino-2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[2-[[2-[2-[[2-[[4-amino-2-[[2-[[1-[6-amino-2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-4-methyl-pentanoyl]amino]hexanoyl]prolyl]amino]-3-hydroxy-propanoyl]amino]-4-keto-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-keto-valeric acid Formula: C54H88N14O18 MolecularWeight: 1221.35952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CO)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(CO)N

InChI

InChI=1S/C54H88N14O18/c1-7-27(4)42(51(82)61-34(54(85)86)17-18-40(57)73)66-52(83)43(29(6)71)67-44(75)28(5)59-46(77)36(22-30-13-15-31(72)16-14-30)63-48(79)37(23-41(58)74)64-49(80)38(25-70)65-50(81)39-12-10-20-68(39)53(84)33(11-8-9-19-55)60-47(78)35(21-26(2)3)62-45(76)32(56)24-69/h13-16,26-29,32-39,42-43,69-72H,7-12,17-25,55-56H2,1-6H3,(H2,57,73)(H2,58,74)(H,59,77)(H,60,78)(H,61,82)(H,62,76)(H,63,79)(H,64,80)(H,65,81)(H,66,83)(H,67,75)(H,85,86)