methyl 2-[[6-azanyl-2-[2-azanylpropanoyl(phenylmethoxycarbonyl)amino]hexanoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[[6-azanyl-2-[2-azanylpropanoyl(phenylmethoxycarbonyl)amino]hexanoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[6-amino-2-[2-aminopropanoyl(benzyloxycarbonyl)amino]hexanoyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[6-amino-2-[(2-amino-1-oxopropyl)-phenylmethoxycarbonylamino]-1-oxohexyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[6-amino-2-[2-aminopropanoyl(phenylmethoxycarbonyl)amino]hexanoyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[2-[alanyl(carbobenzoxy)amino]-6-amino-hexanoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C21H32N4O7 MolecularWeight: 452.50138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(CCCCN)C(=O)NC(CO)C(=O)OC)C(=O)OCC1=CC=CC=C1)N

Isomeric SMILES

CC(C(=O)N(C(CCCCN)C(=O)NC(CO)C(=O)OC)C(=O)OCC1=CC=CC=C1)N

InChI

InChI=1S/C21H32N4O7/c1-14(23)19(28)25(21(30)32-13-15-8-4-3-5-9-15)17(10-6-7-11-22)18(27)24-16(12-26)20(29)31-2/h3-5,8-9,14,16-17,26H,6-7,10-13,22-23H2,1-2H3,(H,24,27)