기본 정보
- CAS
161510-41-4- 표준 SMILES
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1cccc2ccccc12)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C- InChIKey
MHHKZFUWGOGERO-IVBRNKFMSA-N- 분자식
- C47H55N5O6
- 평균 분자량
- 786 g/mol
- 단동위원소 질량
- 785.41523449
이름 및 식별자
- 우선 이름
- (2R,3R,4S)-N-(2-((1-Naphthalenyl)methylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide
- IUPAC
- benzyl N-[(2S)-1-[[(2S,3R,4R)-5-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-4-(naphthalen-1-ylmethylamino)-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
이름 및 동의어
161510-41-4(2R,3R,4S)-N-(2-((1-Naphthalenyl)methylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamideDTXSID30167170RefChem:206738DTXCID3089661Statine deriv. 12BDBM932CHEMBL102431(2R,3R,4S)-N-[2-[(1-Naphthalenyl)methylamino]-4-[[N-[(benzyloxy)carbonyl]valyl]amino]-3-hydroxy-5- phenylpentanoyl]valine benzylamideBenzyl [(2S)-1-{[(2S,3R,4R)-5-{[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino}-3-hydroxy-4-{[(naphthalen-1-yl)methyl]amino}-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamatebenzyl N-[(1S)-1-[[(1S,2R,3R)-1-benzyl-4-[[(1S)-1-(benzylcarbamoyl)-2-methyl-propyl]amino]-2-hydroxy-3-(1-naphthylmethylamino)-4-oxo-butyl]carbamoyl]-2-methyl-propyl]carbamatebenzyl N-[(1S)-1-{[(2S,3R,4R)-4-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-4-[(naphthalen-1-ylmethyl)amino]-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]carbamate
데이터베이스 식별자
- CAS
161510-41-4- PubChem CID
- 460203
- DTXSID
물성
구조 계산 물성
- XLogP
- 7.5
- 극성 표면적
- 158 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,260
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