기본 정보
- CAS
161594-19-0- 표준 SMILES
CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1- InChIKey
OWCCZVZPRSKALT-RHAMUZCRSA-N- 분자식
- C41H49N5O7
- 평균 분자량
- 723.9 g/mol
- 단동위원소 질량
- 723.36319892
이름 및 식별자
- 우선 이름
- (2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-serinyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide
- IUPAC
- benzyl N-[(2S)-1-[[(2S,3R,4R)-4-(benzylamino)-5-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
이름 및 동의어
161594-19-0(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-serinyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamideDTXSID20167205RefChem:206786DTXCID0089696Statine deriv. 27BDBM947CHEMBL317654Ser-Val-Sta, 5PhBuCOOH deriv.(2R,3S,4S)-N-[2-(Benzylamino)-4-[[N-[(benzyloxy)carbonyl]-L-serinyl]amino]-3-hydroxy-5- phenylpentanoyl]valine benzylamideBenzyl [(2S)-1-{[(2S,3R,4R)-4-(benzylamino)-5-{[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-hydroxy-1-oxopropan-2-yl]carbamatebenzyl N-[(1S)-1-{[(2S,3R,4R)-4-(benzylamino)-4-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-hydroxyethyl]carbamate
이름 더 보기
benzyl N-[(1S)-2-[[(1S,2R,3R)-1-benzyl-3-(benzylamino)-4-[[(1S)-1-(benzylcarbamoyl)-2-methyl-propyl]amino]-2-hydroxy-4-oxo-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamate
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 178 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,100
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