N-[2,2-dimethyl-1(S)-(methylcarbamoyl)propyl]-3 (S)-[1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acid
기본 정보
- 표준 SMILES
CNC(=O)[C@@H](NC(=O)[C@@H](CC(=O)O)c1ccn(-c2ccc(F)cc2)c1)C(C)(C)C- InChIKey
JOYDUCRIYCOQIJ-FUHWJXTLSA-N- 분자식
- C21H26FN3O4
- 평균 분자량
- 403.4 g/mol
- 단동위원소 질량
- 403.19073448
이름 및 식별자
- 우선 이름
- N-[2,2-dimethyl-1(S)-(methylcarbamoyl)propyl]-3 (S)-[1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acid
- IUPAC
- (3S)-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-3-[1-(4-fluorophenyl)pyrrol-3-yl]-4-oxobutanoic acid
이름 및 동의어
N-[2,2-dimethyl-1(S)-(methylcarbamoyl)propyl]-3(S)-(1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acidN-[2,2-dimethyl-1(S)-(methylcarbamoyl)propyl]-3(S)-[1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acidSCHEMBL7452226JOYDUCRIYCOQIJ-FUHWJXTLSA-NN-[2,2- dimethyl-1(S)-(methylcarbamoyl)propyl]-3(S)-[1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acidN-[2,2-dimethyl-1(S)-(methylcarbamoyl)propyl]-3 (S)-[1-(4-fluorophenyl)-1H-pyrrol-3-yl]succinamic acid
데이터베이스 식별자
- PubChem CID
- 53966974
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 599
관련 반응
4건
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