(S)-1-(3-(Acetylthio)-2-methyl-1-oxopropyl)-L-proline
Properties
- Molecular formula
- C11H17NO4S
- Molar mass
- 259.32 g/mol
- Exact mass
- 259.0878 Da
- logP
- 0.98Crippen estimate
- Polar surface area
- 74.7 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 4
- Stereocentres
- S, Sin SMILES atom order
Hazards
Danger
- H317 May cause an allergic skin reaction19.1% of notifiers
- H319 Causes serious eye irritation80.9% of notifiers
- H360 May damage fertility or the unborn child12.8% of notifiers
- H361 Suspected of damaging fertility or the unborn child17% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure17% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P264, P264+P265, P270, P272, P280, P302+P352, P305+P351+P338, P318, P319, P321, P333+P317, P337+P317, P362+P364, P405, P501
Identifiers
CAS number
64838-55-7SMILES
CC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OInChIKey
ZNQRGUYIKSRYCI-APPZFPTMSA-NInChI
InChI=1S/C11H17NO4S/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)/t7-,9+/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1-[(2S)-3-(Acetylthio)-2-methyl-1-oxopropyl]-L-proline
- L-Proline, 1-[(2S)-3-(acetylthio)-2-methyl-1-oxopropyl]-
- L-Proline, 1-[3-(acetylthio)-2-methyl-1-oxopropyl]-, (S)-
- (S,S)-1-(D-3-Acetylthio-2-methylpropanoyl)-L-proline
- S-Acetylcaptopril
- DU 1163
Work with (S)-1-(3-(Acetylthio)-2-methyl-1-oxopropyl)-L-proline
Similar compounds
Alacepril74258-86-963 % similar
Captopril62571-86-263 % similar
3-(Acetylthio)-2-methylpropanoic acid33325-40-557 % similar
D-Beta-acetylthioisobutyric acid76497-39-757 % similar
L-Alanyl-L-proline13485-59-155 % similar
Ac-dl-pro-oh1074-79-951 % similar
N-Acetyl-D-proline59785-68-151 % similar
N-Acetyl-L-proline68-95-151 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds