기본 정보
- 표준 SMILES
COC(=O)[C@@H](CO[C@H](CN(CC1CC1)C(=O)OC(C)(C)C)c1ccccc1)NC(=O)OCc1ccccc1- InChIKey
XJJDGBMYZRKAQZ-JWQCQUIFSA-N- 분자식
- C29H38N2O7
- 평균 분자량
- 526.6 g/mol
이름 및 식별자
- 우선 이름
- Methyl N-[(benzyloxy)carbonyl]-O-{(1S)-2-[(tert-butoxycarbonyl) (cyclopropylmethyl)amino]-1-phenylethyl}-D-serinate
- IUPAC
- methyl (2R)-3-[(1S)-2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-phenylethoxy]-2-(phenylmethoxycarbonylamino)propanoate
이름 및 동의어
SCHEMBL1198322XJJDGBMYZRKAQZ-JWQCQUIFSA-NMethyl N-[(benzyloxy)carbonyl]-O-{(1S)-2-[(tert-butoxycarbonyl) (cyclopropylmethyl)amino]-1-phenylethyl}-D-serinateMethyl N-[(benzyloxy)carbonyl]-O-{(1S)-2-[(tert-butoxycarbonyl)(cyclopropylmethyl)amino]-1-phenyl ethyl}-D-serinatemethyl N-[(benzyloxy)carbonyl]-O-{(1S)-2-[(tert-butoxycarbonyl)(cyclopropylmethyl)amino]-1-phenylethyl}- D -serinateMethyl N-[(benzyloxy)carbonyl]-O-{(1S)-2-[(tert-butoxycarbonyl)(cyclopropylmethyl)amino]-1-phenylethyl}-D-serinateMethyl N-[(benzyloxy)carbonyl]-O-{(1S)-2-[(tert-butoxycarbonyl)(cyclopropylmethyl)amino]-1-phenylethyl}D -serinatemethyl N-[(benzyloxy)carbonyl]-O-{(1S)-2-[(tert-butoxycarbonyl)(cyclopropylmethyl)amino]1-phenylethyl}-D-serinate
데이터베이스 식별자
- PubChem CID
- 66939283
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 753
관련 반응
16건
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