5-[3-azanyl-2-[[2-[(2-azanyl-3-phenyl-propanoyl)-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-oxidanylidene-propyl]-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-[3-azanyl-2-[[2-[(2-azanyl-3-phenyl-propanoyl)-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-oxidanylidene-propyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[3-amino-2-[[2-[(2-amino-3-phenyl-propanoyl)-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-oxo-propyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[3-amino-2-[[2-[(2-amino-1-oxo-3-phenylpropyl)-methylamino]-3-methyl-1-oxobutyl]-methylamino]-3-oxopropyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[3-amino-2-[[2-[(2-amino-3-phenylpropanoyl)-methylamino]-3-methylbutanoyl]-methylamino]-3-oxopropyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[3-amino-3-keto-2-[methyl-[3-methyl-2-[methyl(phenylalanyl)amino]butanoyl]amino]propyl]-2-methyl-3-furoic acid Formula: C25H34N4O6 MolecularWeight: 486.56066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CC(C(=O)N)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CC(C(=O)N)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC2=CC=CC=C2)N)C(=O)O

InChI

InChI=1S/C25H34N4O6/c1-14(2)21(29(5)23(31)19(26)11-16-9-7-6-8-10-16)24(32)28(4)20(22(27)30)13-17-12-18(25(33)34)15(3)35-17/h6-10,12,14,19-21H,11,13,26H2,1-5H3,(H2,27,30)(H,33,34)