ethyl 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enyl-amino]pentanoyl]-prop-2-enyl-amino]ethanoate

Systemtic Name: ethyl 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enyl-amino]pentanoyl]-prop-2-enyl-amino]ethanoate Openeye Name: ethyl 2-[allyl-[(2S)-2-[allyl(tert-butoxycarbonyl)amino]-4-methyl-pentanoyl]amino]acetate CAS Name: 2-[[(2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-prop-2-enylamino]-1-oxopentyl]-prop-2-enylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pentanoyl]-prop-2-enylamino]acetate Traditional Name: 2-[allyl-[(2S)-2-[allyl(tert-butoxycarbonyl)amino]-4-methyl-pentanoyl]amino]acetic acid ethyl ester Formula: C21H36N2O5 MolecularWeight: 396.52094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC=C)C(=O)C(CC(C)C)N(CC=C)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CN(CC=C)C(=O)[C@H](CC(C)C)N(CC=C)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H36N2O5/c1-9-12-22(15-18(24)27-11-3)19(25)17(14-16(4)5)23(13-10-2)20(26)28-21(6,7)8/h9-10,16-17H,1-2,11-15H2,3-8H3/t17-/m0/s1