4-[(2S)-2-Carboxy-2-[[2-(diethylamino)-5-[[(4-fluorophenyl)sulfonyl]-2-propyn-1-ylamino]-4-pyrimidinyl]amino]ethyl]phenyl 1-pyrrolidinecarboxylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H35FN6O6S
Molecular Weight	638.71
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-[(2S)-2-Carboxy-2-[[2-(diethylamino)-5-[[(4-fluorophenyl)sulfonyl]-2-propyn-1-ylamino]-4-pyrimidinyl]amino]ethyl]phenyl 1-pyrrolidinecarboxylate

Structure Search

SMILES

CCN(CC)C1=NC(N[C@@H](CC2=CC=C(OC(=O)N3CCCC3)C=C2)C(O)=O)=C(C=N1)N(CC#C)S(=O)(=O)C4=CC=C(F)C=C4

InChI

InChIKey=GRDNLKHOGQRLIU-SANMLTNESA-N

InChI=1S/C31H35FN6O6S/c1-4-17-38(45(42,43)25-15-11-23(32)12-16-25)27-21-33-30(36(5-2)6-3)35-28(27)34-26(29(39)40)20-22-9-13-24(14-10-22)44-31(41)37-18-7-8-19-37/h1,9-16,21,26H,5-8,17-20H2,2-3H3,(H,39,40)(H,33,34,35)/t26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H35FN6O6S
Molecular Weight	638.71
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:06:06 GMT 2025` Edited by `admin` on `Mon Mar 31 18:06:06 GMT 2025`
Record UNII	746URP694A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-[(2S)-2-Carboxy-2-[[2-(diethylamino)-5-[[(4-fluorophenyl)sulfonyl]-2-propyn-1-ylamino]-4-pyrimidinyl]amino]ethyl]phenyl 1-pyrrolidinecarboxylate

Preferred Name

English

Code System Code Type Description

PUBCHEM

10077862

Created by admin on Mon Mar 31 18:06:06 GMT 2025 , Edited by admin on Mon Mar 31 18:06:06 GMT 2025

PRIMARY

FDA UNII

746URP694A

Created by admin on Mon Mar 31 18:06:06 GMT 2025 , Edited by admin on Mon Mar 31 18:06:06 GMT 2025

PRIMARY

CAS

630123-46-5

Created by admin on Mon Mar 31 18:06:06 GMT 2025 , Edited by admin on Mon Mar 31 18:06:06 GMT 2025

PRIMARY

Related Record Type Details


					746URP694A

4-[(2S)-2-Carboxy-2-[[2-(diethylamino)-5-[[(4-fluorophenyl)sulfonyl]-2-propyn-1-ylamino]-4-pyrimidinyl]amino]ethyl]phenyl 1-pyrrolidinecarboxylate

ACTIVE MOIETY

Amount: