기본 정보
- 표준 SMILES
Cc1cccnc1NC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)N1C(=O)[C@H](CC1CCCC1)CN(C=O)OCc1ccccc1- InChIKey
KHZIUBHNLZVPCJ-JSOSNVBQSA-N- 분자식
- C35H41N5O6
- 평균 분자량
- 627.7 g/mol
이름 및 식별자
- 우선 이름
- phenylmethyl (3S)-2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-3-{[(3-methyl-2-pyridinyl)amino]carbonyl}-1-pyrazolidinecarboxylate
- IUPAC
- benzyl (3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(phenylmethoxy)amino]propanoyl]-3-[(3-methyl-2-pyridinyl)carbamoyl]pyrazolidine-1-carboxylate
이름 및 동의어
KHZIUBHNLZVPCJ-JSOSNVBQSA-NPhenylmethyl (3S)-2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-3-{[(3-methyl-2-pyridinyl)amino]carbonyl}-1-pyrazolidine carboxylatephenylmethyl (3S)-2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]-3-{[(3-methyl-2-pyridinyl)amino]carbonyl}-1-pyrazolidinecarboxylate
데이터베이스 식별자
- PubChem CID
- 86706345
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 996
관련 반응
2건
화합물 노트
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