4-[[2-[2-[2-[2-[[5-azanyl-2-[(2-azanyl-3-methyl-pentanoyl)amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-5-[2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[2-[2-[2-[2-[[5-azanyl-2-[(2-azanyl-3-methyl-pentanoyl)amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-5-[2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-[[2-[[2-[[2-[[5-amino-2-[(2-amino-3-methyl-pentanoyl)amino]-5-oxo-pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-5-[2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[2-[[2-[[2-[[5-amino-2-[(2-amino-3-methyl-1-oxopentyl)amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-5-[2-[(carboxymethylamino)-oxomethyl]-1-pyrrolidinyl]-5-oxopentanoic acid IUPAC Name: 4-[[2-[[2-[[2-[[2-[[5-amino-2-[(2-amino-3-methylpentanoyl)amino]-5-oxopentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-5-[2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid Traditional Name: 4-[[2-[[2-[[2-[[2-[[5-amino-2-[(2-amino-3-methyl-pentanoyl)amino]-5-keto-pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-5-[2-(carboxymethylcarbamoyl)pyrrolidino]-5-keto-valeric acid Formula: C38H56N10O13 MolecularWeight: 860.91044

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)O)C(=O)N2CCCC2C(=O)NCC(=O)O)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)O)C(=O)N2CCCC2C(=O)NCC(=O)O)N

InChI

InChI=1S/C38H56N10O13/c1-3-21(2)33(40)37(60)46-23(11-13-27(39)49)34(57)43-18-29(51)41-17-28(50)42-19-30(52)45-25(16-22-8-5-4-6-9-22)35(58)47-24(12-14-31(53)54)38(61)48-15-7-10-26(48)36(59)44-20-32(55)56/h4-6,8-9,21,23-26,33H,3,7,10-20,40H2,1-2H3,(H2,39,49)(H,41,51)(H,42,50)(H,43,57)(H,44,59)(H,45,52)(H,46,60)(H,47,58)(H,53,54)(H,55,56)