butyl-[[(2R)-2-(phenylmethoxycarbonylaminomethyl)heptanoyl]amino]carbamic acid

Systemtic Name: butyl-[[(2R)-2-(phenylmethoxycarbonylaminomethyl)heptanoyl]amino]carbamic acid Openeye Name: [[(2R)-2-(benzyloxycarbonylaminomethyl)heptanoyl]amino]-butyl-carbamic acid CAS Name: butyl-[[(2R)-1-oxo-2-(phenylmethoxycarbonylaminomethyl)heptyl]amino]carbamic acid IUPAC Name: butyl-[[(2R)-2-(phenylmethoxycarbonylaminomethyl)heptanoyl]amino]carbamic acid Traditional Name: [[(2R)-2-(benzyloxycarbonylaminomethyl)heptanoyl]amino]-butyl-carbamic acid Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CNC(=O)OCC1=CC=CC=C1)C(=O)NN(CCCC)C(=O)O

Isomeric SMILES

CCCCC[C@H](CNC(=O)OCC1=CC=CC=C1)C(=O)NN(CCCC)C(=O)O

InChI

InChI=1S/C21H33N3O5/c1-3-5-8-13-18(19(25)23-24(21(27)28)14-6-4-2)15-22-20(26)29-16-17-11-9-7-10-12-17/h7,9-12,18H,3-6,8,13-16H2,1-2H3,(H,22,26)(H,23,25)(H,27,28)/t18-/m1/s1