2,5-bis(azanyl)-2-(2-azanyl-3-phenyl-propanoyl)-6-methyl-3-(methylsulfanylmethyl)-4-oxidanylidene-3-pyridin-3-ylcarbonyl-heptanoic acid

Systemtic Name: 2,5-bis(azanyl)-2-(2-azanyl-3-phenyl-propanoyl)-6-methyl-3-(methylsulfanylmethyl)-4-oxidanylidene-3-pyridin-3-ylcarbonyl-heptanoic acid Openeye Name: 2,5-diamino-2-(2-amino-3-phenyl-propanoyl)-6-methyl-3-(methylsulfanylmethyl)-4-oxo-3-(pyridine-3-carbonyl)heptanoic acid CAS Name: 2,5-diamino-2-(2-amino-1-oxo-3-phenylpropyl)-6-methyl-3-[(methylthio)methyl]-4-oxo-3-[oxo(3-pyridinyl)methyl]heptanoic acid IUPAC Name: 2,5-diamino-2-(2-amino-3-phenylpropanoyl)-6-methyl-3-(methylsulfanylmethyl)-4-oxo-3-(pyridine-3-carbonyl)heptanoic acid Traditional Name: 2,5-diamino-4-keto-6-methyl-3-[(methylthio)methyl]-3-nicotinoyl-2-phenylalanyl-enanthic acid Formula: C25H32N4O5S MolecularWeight: 500.61038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(CSC)(C(=O)C1=CN=CC=C1)C(C(=O)C(CC2=CC=CC=C2)N)(C(=O)O)N)N

Isomeric SMILES

CC(C)C(C(=O)C(CSC)(C(=O)C1=CN=CC=C1)C(C(=O)C(CC2=CC=CC=C2)N)(C(=O)O)N)N

InChI

InChI=1S/C25H32N4O5S/c1-15(2)19(27)22(32)24(14-35-3,20(30)17-10-7-11-29-13-17)25(28,23(33)34)21(31)18(26)12-16-8-5-4-6-9-16/h4-11,13,15,18-19H,12,14,26-28H2,1-3H3,(H,33,34)