AG00IJRC

96034-64-9 | 1-Pyrrolidinecarboxylic acid, 2-[(dimethylamino)carbonyl]-4-mercapto-,(4-nitrophenyl)methyl ester, (2S,4S)-

AG00IJRC

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CAS Number	96034-64-9
Catalog Number	AG00IJRC(AGN-PC-0W5N9Q)
Chemical Name	1-Pyrrolidinecarboxylic acid, 2-[(dimethylamino)carbonyl]-4-mercapto-,(4-nitrophenyl)methyl ester, (2S,4S)-
IUPAC Name	(4-nitrophenyl)methyl (2S,4S)-2-(dimethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate
InChI	InChI=1S/C15H19N3O5S/c1-16(2)14(19)13-7-12(24)8-17(13)15(20)23-9-10-3-5-11(6-4-10)18(21)22/h3-6,12-13,24H,7-9H2,1-2H3/t12-,13-/m0/s1
InChI Key	VGLBNJWGUYQZHD-STQMWFEESA-N
MDL Number	MFCD08063348
Molecular Formula	C15H19N3O5S
Molecular Weight	353.3935
SMILES	CN(C([C@@H]1C[C@@H](CN1C(OCC2=CC=C([N+]([O-])=O)C=C2)=O)S)=O)C
Synonyms	96034-64-9, Side chain for meropenem, (2S,4S)-2-(DIMETHYLAMINOCARBONYL)-4-MERCAPTO-1-(P-NITROBENZYLOXYCARBONYL)-1-PYRROLIDINE, (2S,4S)-4-Nitrobenzyl 2-(Dimethylcarbamoyl)-4-Mercaptopyrrolidine-1-Carboxylate, (2S,4S)-2-(DIMETHYLAMINOCARBONYL)-4-MERCAPTO-1-(P-NITROBENZYLOXYCARBONYL)PYRROLIDINE, (2S,4S)-2-(Dimethylaminocarblnyl)-4-mercapto-1-(4'-nitrobenzyloxycarbonyl)-1-pyrrolidine, (2S,4S)-2-(Dimethylaminocarbonyl)-4-mercapto-1-(4'-nitrobenzyloxycarbonyl)-1-pyrrolidine, (4-Nitrophenyl)methyl (2S,4S)-2-(dimethylcarbamoyl)-4-sulfanylpyrrolidine-1-carboxylate, enzyl ester, VGLBNJWGUYQZHD-STQMWFEESA-N, AK-49162, 2-Dimethylcarbamoyl-4-mercapto-pyrr, SCHEMBL336792, 2S CIS PNB(SIDE CHAIN), CTK3J2821, KS-00000JSA, DTXSID20446628, (2S,4S)-2-(Dimethylaminocarbonyl)-4-mercapto -1-(p-nitrobenzyloxycarbonyl)-1-pyrrolidine, (4-nitrophenyl)methyl 2-(dimethylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate, BCP22934, CS0027, MFCD08063348, olidine-1-carboxylic acid 4-nitro-b, ZINC16696702, AKOS015919512, AB43484, AC-5311, ACN-043285, CD-1338, CHM0015349, CS-W006146, RL06078, RTR-030111, (4-nitrophenyl)methyl (2S,4S)-2-(dimethylcarbamoyl)-4-sulfanyl-pyrrolidine-1-carboxylate, AJ-69140, AN-11134, AS-13574, BR-49162, I741, AX8023261, TL8006003, TR-030111, FT-0642318, N0828, ST24020292, M-1129, 034D649, C-20698, Q-101434, (4S)-1-(4-Nitrobenzyloxycarbonyl)-4-mercapto-N,N-dimethyl-L-prolinamide, (2S,4S)-1-(p-nitrobenzyloxycarbonyl)-2-dimethylcarbamoyl-4-mercaptopyrrolidine, (2S,4S)-2-(Dimethylaminocarbonyl)-4-mercapto-1-(pnitrobenzyloxycarbonyl)-1-pyrrolidine, (2S,4S)-2-(Dimethylcarbamoyl)-4-mercapto-1-pyrrolidinecarboxylic Acid 4-Nitrobenzyl Ester, (2S,4S)-2-Dimethylaminocarbonyl-4-mercapto-1-(4-nitrobenzyloxycarbonyl)-1-pyrrolidine, (2s,4s)-2-Dimethylaminocarbonyl-4-mercapto-1-(p-nitrobenzyloxycarbonyl)-pyrrolidine, (2S,4S)-2-dimethylcarbamoyl-1-(4-nitrobenzyloxycarbonyl)-4-mercaptopyrrolidine, (2S,4S)-dimethylcarbamoyl-1-(4-nitrobenzyloxycarbonyl)-4-mercaptopyrrolidine, 4-Nitrobenzyl (2S,4S)-2-(Dimethylcarbamoyl)-4-mercapto-1-pyrrolidinecarboxylate, 4-nitrobenzyl (2S,4S)-2-(dimethylcarbamoyl)-4-mercaptopyrrolidine-1-carboxylate, 4-nitrobenzyl (2S,4S)-2-[(dimethylamino)carbonyl]-4- mercaptopyrrolidine-1-carboxylate, 4-Nitrobenzyl (2S,4S)-2-[(dimethylamino)carbonyl]-4-mercaptopyrrolidine-1-carboxylate, (2S,4S)-2-(DIMETHYLAMINOCARBOXYL)-4-MERCAPTO-1-(P-NITROBENZYLOXYCARBONYL)-1-PYRROLIDINE, (2S-cis)-2-[(Dimethylamino)carbonyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl) methyl ester, 1-Pyrrolidinecarboxylic acid, 2-[(dimethylamino)carbonyl]-4-mercapto-,(4-nitrophenyl)methyl ester, (2S,4S)-, 1-Pyrrolidinecarboxylicacid, 2-[(dimethylamino)carbonyl]-4-mercapto-, (4-nitrophenyl)methyl ester,(2S-cis)-, 4-Nitrobenzyl (2S,4S)-2-(dimethylcarbamoyl)-4-sulfanyl-1-pyrrolidinecarboxylate, Antibiotic for Culture Media Use Only, C15H19N3O5S, CID10871907, (2S,4S)-4-Nitrobenzyl2-(dimethylcarbamoyl)-4-mercaptopyrrolidine-1-carboxylate, Meropenem Side Chain/(2S,4S)-2-(dimethylaminocarboxyl)-4-mercapto-1-(p-nitrobenzyloxycarbonyl)-1-pyrrolidine ?,

Complexity	488
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	353.105g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	353.393g/mol
Monoisotopic Mass	353.105g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	96.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

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