tert-butyl (2S)-2-[2-[(3-azanyl-2-oxidanyl-hexanoyl)amino]ethanoylamino]-2-phenyl-ethanoate hydrochloride

Systemtic Name: tert-butyl (2S)-2-[2-[(3-azanyl-2-oxidanyl-hexanoyl)amino]ethanoylamino]-2-phenyl-ethanoate hydrochloride Openeye Name: tert-butyl (2S)-2-[[2-[(3-amino-2-hydroxy-hexanoyl)amino]acetyl]amino]-2-phenyl-acetate hydrochloride CAS Name: (2S)-2-[[2-[(3-amino-2-hydroxy-1-oxohexyl)amino]-1-oxoethyl]amino]-2-phenylacetic acid tert-butyl ester hydrochloride IUPAC Name: tert-butyl (2S)-2-[[2-[(3-amino-2-hydroxyhexanoyl)amino]acetyl]amino]-2-phenylacetate hydrochloride Traditional Name: (2S)-2-[[2-[(3-amino-2-hydroxy-hexanoyl)amino]acetyl]amino]-2-phenyl-acetic acid tert-butyl ester hydrochloride Formula: C20H32ClN3O5 MolecularWeight: 429.93818

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)O)N.Cl

Isomeric SMILES

CCCC(C(C(=O)NCC(=O)N[C@@H](C1=CC=CC=C1)C(=O)OC(C)(C)C)O)N.Cl

InChI

InChI=1S/C20H31N3O5.ClH/c1-5-9-14(21)17(25)18(26)22-12-15(24)23-16(13-10-7-6-8-11-13)19(27)28-20(2,3)4;/h6-8,10-11,14,16-17,25H,5,9,12,21H2,1-4H3,(H,22,26)(H,23,24);1H/t14?,16-,17?;/m0./s1