S-[(Acetylamino)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-cysteine 4-nitrophenyl ester

C₁₇H₂₃N₃O₇SCAS 58651-76-6413.45 g/mol

Open in Covalent MOL file

Ester Nitro Sulfide

Properties

Molecular formula: C₁₇H₂₃N₃O₇S
Molar mass: 413.45 g/mol
Exact mass: 413.1257 Da
logP: 3.27Crippen estimate
Polar surface area: 143.8 Å²
H-bond donors / acceptors: 2 / 8
Rotatable bonds: 8
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

58651-76-6

SMILES

CC(O)=NCSC[C@H](N=C(O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1

InChIKey

YMMVJNPHWLDKCQ-AWEZNQCLSA-N

InChI

InChI=1S/C17H23N3O7S/c1-11(21)18-10-28-9-14(19-16(23)27-17(2,3)4)15(22)26-13-7-5-12(6-8-13)20(24)25/h5-8,14H,9-10H2,1-4H3,(H,18,21)(H,19,23)/t14-/m0/s1

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Names and synonyms

1 names

L-Cysteine, S-[(acetylamino)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester

Work with S-[(Acetylamino)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-cysteine 4-nitrophenyl ester

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Similar compounds

N2,N6-Bis[(1,1-dimethylethoxy)carbonyl]-L-lysine 4-nitrophenyl ester2592-19-066 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-L-asparagine 4-nitrophenyl ester4587-33-165 % similar N-(tert-Butoxycarbonyl)-L-phenylalanine P-nitrophenyl ester7535-56-065 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-L-glutamine 4-nitrophenyl ester15387-45-863 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-alanine 4-nitrophenyl ester2483-49-062 % similar S-[(Acetylamino)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-cysteine19746-37-357 % similar N-[(1,1-Dimethylethoxy)carbonyl]-4-nitro-L-phenylalanine ethyl ester67630-00-653 % similar N-(tert-Butoxycarbonyl)-4-nitro-L-phenylalanine33305-77-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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