Carbamic acid, ((1S,2S)-3-((2S,5'S)-4-((1R)-2-amino-2-oxo-1-(phenylmethyl)ethyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-5'-(phenylmethyl)(2,3'-bi-1H-pyrrol)-5'-yl)-2-hydroxy-1-(phenylmethyl)propyl)-, 1,1-dimethylethyl ester
기본 정보
- CAS
153239-99-7- 표준 SMILES
CC(C)C[C@@]1(C2=CN[C@@](Cc3ccccc3)(C[C@H](O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)C2=O)NC=C([C@@H](Cc2ccccc2)C(N)=O)C1=O- InChIKey
CKYACXOOSKITEJ-SRGBXEJSSA-N- 분자식
- C43H52N4O6
- 평균 분자량
- 720.9 g/mol
- 단동위원소 질량
- 720.38868539
이름 및 식별자
- 우선 이름
- Carbamic acid, ((1S,2S)-3-((2S,5'S)-4-((1R)-2-amino-2-oxo-1-(phenylmethyl)ethyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-5'-(phenylmethyl)(2,3'-bi-1H-pyrrol)-5'-yl)-2-hydroxy-1-(phenylmethyl)propyl)-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl N-[(2S,3S)-4-[(2S)-4-[(2S)-4-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-oxo-1H-pyrrol-2-yl]-2-benzyl-3-oxo-1H-pyrrol-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
이름 및 동의어
153239-99-7Carbamic acid, ((1S,2S)-3-((2S,5'S)-4-((1R)-2-amino-2-oxo-1-(phenylmethyl)ethyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-5'-(phenylmethyl)(2,3'-bi-1H-pyrrol)-5'-yl)-2-hydroxy-1-(phenylmethyl)propyl)-, 1,1-dimethylethyl esterCarbamic acid, [(1S,2S)-3-[(2S,5'S)-4-[(1R)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-5'-(phenylmethyl)[2,3'-bi-1H-pyrrol]-5'-yl]-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl esterDTXSID00165300tert-Butyl {(2S,3S)-4-[(2S,5'S)-4-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-5'-benzyl-2-(2-methylpropyl)-3,4'-dioxo-2,3,4',5'-tetrahydro-1H,1'H-[2,3'-bipyrrol]-5'-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamatetert-butyl N-[(1S,2S)-3-[(2S)-4-[(2S)-4-[(1R)-2-amino-1-benzyl-2-oxo-ethyl]-2-isobutyl-3-oxo-1H-pyrrol-2-yl]-2-benzyl-3-oxo-1H-pyrrol-2-yl]-1-benzyl-2-hydroxy-propyl]carbamate
데이터베이스 식별자
- CAS
153239-99-7- PubChem CID
- 5480317
- DTXSID
DTXSID00165300- ChEMBL
CHEMBL70140- Nikkaji
- J574.493H
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 160 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,370
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