기본 정보
- 표준 SMILES
CCC[C@H](NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C1CCCCC1)C(C)C)C(=O)O- InChIKey
YDOYXICNTWKXAY-FZNINIPZSA-N- 분자식
- C42H54N4O9
- 평균 분자량
- 758.9 g/mol
이름 및 식별자
- 우선 이름
- (S)-2-{[(1R,2R,4S)-2-{(S)-1-[((S)-Cyclohexyl-methoxycarbonyl-methyl)-carbamoyl]-2-methyl-propylcarbamoyl}-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino}-pentanoic acid
- IUPAC
- (2S)-2-[[(1R,2R,4S)-2-[[(2S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentanecarbonyl]amino]pentanoic acid
이름 및 동의어
SCHEMBL3046364YDOYXICNTWKXAY-FZNINIPZSA-N(2S)-2-[[(1R,2R,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]cyclopentanecarbonyl]amino]pentanoic acid(S)-2-{[(1R,2R,4S)-2-{(S)-1-[((S)-Cyclohexyl-methoxycarbonyl-methyl)-carbamoyl]-2-methyl-propylcarbamoyl}-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-cyclopentanecarbonyl]-amino}-pentanoic acid
데이터베이스 식별자
- PubChem CID
- 11468353
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 182 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,300
관련 반응
1건
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