2-azanyl-5-[[2-[2-azanylbutanoyl(1H-pyrrol-2-ylcarbonyl)amino]-3-oxidanyl-propanoyl]amino]-2-ethyl-3-oxidanylidene-5-phenyl-pentanoic acid

Systemtic Name: 2-azanyl-5-[[2-[2-azanylbutanoyl(1H-pyrrol-2-ylcarbonyl)amino]-3-oxidanyl-propanoyl]amino]-2-ethyl-3-oxidanylidene-5-phenyl-pentanoic acid Openeye Name: 2-amino-5-[[2-[2-aminobutanoyl(1H-pyrrole-2-carbonyl)amino]-3-hydroxy-propanoyl]amino]-2-ethyl-3-oxo-5-phenyl-pentanoic acid CAS Name: 2-amino-5-[[2-[(2-amino-1-oxobutyl)-[oxo(1H-pyrrol-2-yl)methyl]amino]-3-hydroxy-1-oxopropyl]amino]-2-ethyl-3-oxo-5-phenylpentanoic acid IUPAC Name: 2-amino-5-[[2-[2-aminobutanoyl(1H-pyrrole-2-carbonyl)amino]-3-hydroxypropanoyl]amino]-2-ethyl-3-oxo-5-phenylpentanoic acid Traditional Name: 2-amino-5-[[2-[2-aminobutanoyl(1H-pyrrole-2-carbonyl)amino]-3-hydroxy-propanoyl]amino]-2-ethyl-3-keto-5-phenyl-valeric acid Formula: C25H33N5O7 MolecularWeight: 515.55882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(C(CO)C(=O)NC(CC(=O)C(CC)(C(=O)O)N)C1=CC=CC=C1)C(=O)C2=CC=CN2)N

Isomeric SMILES

CCC(C(=O)N(C(CO)C(=O)NC(CC(=O)C(CC)(C(=O)O)N)C1=CC=CC=C1)C(=O)C2=CC=CN2)N

InChI

InChI=1S/C25H33N5O7/c1-3-16(26)22(34)30(23(35)17-11-8-12-28-17)19(14-31)21(33)29-18(15-9-6-5-7-10-15)13-20(32)25(27,4-2)24(36)37/h5-12,16,18-19,28,31H,3-4,13-14,26-27H2,1-2H3,(H,29,33)(H,36,37)