ethyl 3-[[(3S)-4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butyl]carbamoylamino]benzoate

Systemtic Name: ethyl 3-[[(3S)-4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butyl]carbamoylamino]benzoate Openeye Name: ethyl 3-[[(3S)-3-(tert-butoxycarbonylamino)-4-methoxy-4-oxo-butyl]carbamoylamino]benzoate CAS Name: 3-[[[[(3S)-4-methoxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutyl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(3S)-4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]carbamoylamino]benzoate Traditional Name: 3-[[(3S)-3-(tert-butoxycarbonylamino)-4-keto-4-methoxy-butyl]carbamoylamino]benzoic acid ethyl ester Formula: C20H29N3O7 MolecularWeight: 423.46016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCCC(C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H29N3O7/c1-6-29-16(24)13-8-7-9-14(12-13)22-18(26)21-11-10-15(17(25)28-5)23-19(27)30-20(2,3)4/h7-9,12,15H,6,10-11H2,1-5H3,(H,23,27)(H2,21,22,26)/t15-/m0/s1