methyl 2-[azanyl-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[azanyl-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[amino-[5-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[amino-[4-methyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[amino-[4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[amino-[5-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)N(C(CC1=CC=CC=C1)C(=O)OC)N)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(CCC(=O)N(C(CC1=CC=CC=C1)C(=O)OC)N)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N3O5/c1-15(14-23-20(27)29-21(2,3)4)11-12-18(25)24(22)17(19(26)28-5)13-16-9-7-6-8-10-16/h6-10,15,17H,11-14,22H2,1-5H3,(H,23,27)