(2-{2(S)-[(1-Amino-isoquinolin-6-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-2-oxo-1-(S)-phenyl-ethyl)-carbamic acid methyl ester
기본 정보
- 표준 SMILES
COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(N)nccc2c1)c1ccccc1- InChIKey
UVICIAUWWQPIDT-SFTDATJTSA-N- 분자식
- C25H27N5O4
- 평균 분자량
- 461.5 g/mol
이름 및 식별자
- 우선 이름
- (2-{2(S)-[(1-Amino-isoquinolin-6-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-2-oxo-1-(S)-phenyl-ethyl)-carbamic acid methyl ester
- IUPAC
- methyl N-[(1S)-2-[(2S)-2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
이름 및 동의어
SCHEMBL6438817UVICIAUWWQPIDT-SFTDATJTSA-N(2-{2(S)-[(1-Amino-isoquinolin-6-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-2-oxo-1-(S)-phenyl-ethyl)-carbamic acid methyl ester(2-{2-(s)-[(1-amino-isoquinolin-6-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-2-oxo-1-(s)-phenyl-ethyl)-carbamic acid methyl ester(2-{2-(S)-[(1-Amino-isoquinolin-6-ylmethyl)-carbamoyl]-pyrrolidine-1-yl}-2-oxo-1-(S)-phenyl-ethyl)-carbamic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 69781158
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 127 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 728
관련 반응
3건
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