6-azanyl-2-[[2-[2-[[4-azanyl-2-[[2-[[2-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoylamino]-3-oxidanyl-propanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[2-[[4-azanyl-2-[[2-[[2-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoylamino]-3-oxidanyl-propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[2-[[4-amino-2-[[2-[[2-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]propanoylamino]-3-hydroxy-propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[2-[[4-amino-2-[[2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]propanoylamino]-3-hydroxypropanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[2-[[4-amino-2-[[2-[[2-[[2-[(2,4-diamino-4-keto-butanoyl)amino]-4-hydroxy-4-keto-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]propanoylamino]-3-hydroxy-propanoyl]amino]hexanoic acid Formula: C39H61N11O15 MolecularWeight: 923.96634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H61N11O15/c1-4-18(2)31(50-36(61)24(13-20-8-10-21(52)11-9-20)47-35(60)26(16-30(55)56)46-33(58)22(41)14-28(42)53)38(63)48-25(15-29(43)54)34(59)44-19(3)32(57)49-27(17-51)37(62)45-23(39(64)65)7-5-6-12-40/h8-11,18-19,22-27,31,51-52H,4-7,12-17,40-41H2,1-3H3,(H2,42,53)(H2,43,54)(H,44,59)(H,45,62)(H,46,58)(H,47,60)(H,48,63)(H,49,57)(H,50,61)(H,55,56)(H,64,65)