기본 정보
- 표준 SMILES
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC1CCCCC1)C(=O)O- InChIKey
MWHFYLOTOKGASE-NAPWCIDWSA-N- 분자식
- C44H49N5O7
- 평균 분자량
- 759.9 g/mol
이름 및 식별자
- 우선 이름
- (1R,2S)-1 {[(2S,4R)-1-[(1S)-1-(Cyclohexylmethyl-carbamoyl)-2-phenyl-ethylcarbamoyl]4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid
- IUPAC
- trans-(1R,2S)-1-[[(2S,4R)-1-[[(2S)-1-(cyclohexylmethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid
이름 및 동의어
SCHEMBL3036156MWHFYLOTOKGASE-NAPWCIDWSA-N(1R,2S)-1 {[(2S,4R)-1-[(1S)-1-(Cyclohexylmethyl-carbamoyl)-2-phenyl-ethylcarbamoyl]4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid(1r,2s)-1-{[(2s,4r)-1-[(1S)-1-(cyclohexylmethyl-carbamoyl)-2-phenyl-ethylcarbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid
데이터베이스 식별자
- PubChem CID
- 68488115
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 159 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,380
관련 반응
1건
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