ethyl (4S)-6-methyl-4-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-oxidanyl-heptanoate

Systemtic Name: ethyl (4S)-6-methyl-4-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-oxidanyl-heptanoate Openeye Name: ethyl (4S)-4-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-pentanoyl]amino]-3-hydroxy-6-methyl-heptanoate CAS Name: (4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]heptanoic acid ethyl ester IUPAC Name: ethyl (4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]heptanoate Traditional Name: (4S)-4-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-pentanoyl]amino]-3-hydroxy-6-methyl-enanthic acid ethyl ester Formula: C21H40N2O6 MolecularWeight: 416.5521

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(CC(=O)OCC)O)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H40N2O6/c1-9-14(5)18(23-20(27)29-21(6,7)8)19(26)22-15(11-13(3)4)16(24)12-17(25)28-10-2/h13-16,18,24H,9-12H2,1-8H3,(H,22,26)(H,23,27)/t14?,15-,16?,18-/m0/s1