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methyl (2S)-2-(2-oxidanylpentanoylamino)-3-phenyl-propanoate

Systemtic Name:	methyl (2S)-2-(2-oxidanylpentanoylamino)-3-phenyl-propanoate
Openeye Name:	methyl (2S)-2-(2-hydroxypentanoylamino)-3-phenyl-propanoate
CAS Name:	(2S)-2-[(2-hydroxy-1-oxopentyl)amino]-3-phenylpropanoic acid methyl ester
IUPAC Name:	methyl (2S)-2-(2-hydroxypentanoylamino)-3-phenylpropanoate
Traditional Name:	(2S)-2-(2-hydroxypentanoylamino)-3-phenyl-propionic acid methyl ester
Formula:	C₁₅H₂₁NO₄
MolecularWeight:	279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)O

Isomeric SMILES

CCCC(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC)O

InChI

InChI=1S/C15H21NO4/c1-3-7-13(17)14(18)16-12(15(19)20-2)10-11-8-5-4-6-9-11/h4-6,8-9,12-13,17H,3,7,10H2,1-2H3,(H,16,18)/t12-,13?/m0/s1

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tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-4-cyclohexyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
tert-butyl N-[(2S)-1-[[(2S)-1-[[(1S,2R)-1-cyclohexyl-2-oxidanyl-3-propan-2-ylsulfanyl-propyl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
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tert-butyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-phenyl-4-propan-2-ylsulfanyl-butan-2-yl]amino]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
tert-butyl N-[(2S)-1-[[(2S)-1-[[(1S,2R)-1-cyclohexyl-2-oxidanyl-3-propan-2-ylsulfanyl-propyl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
tert-butyl N-[(2S)-1-[[(2S)-1-[[(2R,3S)-5-cyclohexyl-2-oxidanyl-1-propan-2-ylsulfanyl-pentan-3-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate