기본 정보
- 표준 SMILES
CC(C)(C)NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1- InChIKey
ILBLUQCBVBLLRO-QOVNPHLHSA-N- 분자식
- C31H41N5O8
- 평균 분자량
- 611.7 g/mol
이름 및 식별자
- 우선 이름
- AHPBA 36a
- IUPAC
- benzyl N-[(2S)-4-amino-1-[[(2S,3S)-4-[(2S,3S)-2-(tert-butylcarbamoyl)-3-hydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
이름 및 동의어
AHPBA 36aBDBM4228SCHEMBL7308585ILBLUQCBVBLLRO-QOVNPHLHSA-NZ-Asn-(2S,3S)-AHPBA-[3(S)-hydroxy]Pro t-butylamineZ.Asn-(2S,3S).AHPBA.[3(S)-hydroxy]Pro tert-butyl-amide(2S)-N-((1S,2S)-3-{(2S,3S)-2-[N-(tert-butyl)carbamoyl]-3-hydroxypyrrolidinyl}-2-hydroxy-3-oxo-1-benzylpropyl)-3-carbamoyl-2-[(phenylmethoxy)carbonylamino]propanamide(3S)-1-[(2S,3S)-3-(N2 -Benzyloxycarbonyl-L-asparaginyl)amino-2-hydroxy-4-phenylbutyryl]-N-t-butyl-3-hydroxy-L-prolinamidebenzyl N-[(1S)-1-{[(2S,3S)-4-[(2S,3S)-2-(tert-butylcarbamoyl)-3-hydroxypyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamoyl}-2-carbamoylethyl]carbamatebenzyl N-[(1S)-3-amino-1-[[(1S,2S)-1-benzyl-3-[(2S,3S)-2-(tert-butylcarbamoyl)-3-hydroxy-pyrrolidin-1-yl]-2-hydroxy-3-oxo-propyl]carbamoyl]-3-oxo-propyl]carbamate
데이터베이스 식별자
- PubChem CID
- 473133
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 200 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,010
관련 반응
1건
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