ethyl (E,4S)-7-azanyl-4-[(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl)carbamoylamino]-7-oxidanylidene-hept-2-enoate

Systemtic Name: ethyl (E,4S)-7-azanyl-4-[(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl)carbamoylamino]-7-oxidanylidene-hept-2-enoate Openeye Name: ethyl (E,4S)-7-amino-4-[(1-ethoxycarbonyl-3-methyl-butyl)carbamoylamino]-7-oxo-hept-2-enoate CAS Name: (E,4S)-7-amino-4-[[[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-oxomethyl]amino]-7-oxo-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-7-amino-4-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]-7-oxohept-2-enoate Traditional Name: (E,4S)-7-amino-4-[(1-carbethoxy-3-methyl-butyl)carbamoylamino]-7-keto-hept-2-enoic acid ethyl ester Formula: C18H31N3O6 MolecularWeight: 385.45524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC(=O)N)NC(=O)NC(CC(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CCC(=O)N)NC(=O)NC(CC(C)C)C(=O)OCC

InChI

InChI=1S/C18H31N3O6/c1-5-26-16(23)10-8-13(7-9-15(19)22)20-18(25)21-14(11-12(3)4)17(24)27-6-2/h8,10,12-14H,5-7,9,11H2,1-4H3,(H2,19,22)(H2,20,21,25)/b10-8+/t13-,14?/m0/s1