2-[2-[[4-azanyl-2-[2-[[2-[[2-[[2-[2-[[1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[2-[[4-azanyl-2-[2-[[2-[[2-[[2-[2-[[1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[[1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[[1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]prolyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-4-keto-butanoyl]amino]acetyl]amino]-3-methyl-valeric acid Formula: C44H63N13O16 MolecularWeight: 1030.04852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)C2CCCN2C(=O)C(CC3=CN=CN3)N

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)C2CCCN2C(=O)C(CC3=CN=CN3)N

InChI

InChI=1S/C44H63N13O16/c1-4-21(2)36(44(72)73)55-34(63)19-48-38(66)28(14-31(46)60)53-33(62)18-50-42(70)37(22(3)58)56-40(68)29(15-35(64)65)54-39(67)27(12-23-7-9-25(59)10-8-23)52-32(61)17-49-41(69)30-6-5-11-57(30)43(71)26(45)13-24-16-47-20-51-24/h7-10,16,20-22,26-30,36-37,58-59H,4-6,11-15,17-19,45H2,1-3H3,(H2,46,60)(H,47,51)(H,48,66)(H,49,69)(H,50,70)(H,52,61)(H,53,62)(H,54,67)(H,55,63)(H,56,68)(H,64,65)(H,72,73)