기본 정보
- CAS
146794-68-5- 표준 SMILES
CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@H](CO)C(C)C- InChIKey
SXCKAQFFUIJSCM-CPXHFIBYSA-N- 분자식
- C34H50N4O7
- 평균 분자량
- 626.8 g/mol
- 단동위원소 질량
- 626.36794995
이름 및 식별자
- 우선 이름
- benzyl N-[(1S)-2-[[(1S,2S,4R)-1-benzyl-2-hydroxy-5-[[(1S)-1-[[(1S)-1-(hydroxymethyl)-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-4-methyl-5-oxo-pentyl]amino]-1-methyl-2-oxo-ethyl]carbamate
- IUPAC
- benzyl N-[(2S)-1-[[(2S,3S,5R)-3-hydroxy-6-[[(2S)-1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-methyl-6-oxo-1-phenylhexan-2-yl]amino]-1-oxopropan-2-yl]carbamate
이름 및 동의어
SKF 108922SB 1089222,5,11,14-Tetraazaheptadecanoic acid, 7,-hydroxy-15-(hydroxymethyl)-3,9,16-trimethyl-12-(1-methylethyl)- -4,10,13-trioxo-6-(phenylmethyl)-, phenylmethyl esterbenzyl N-[(1S)-2-[[(1S,2S,4R)-1-benzyl-2-hydroxy-5-[[(1S)-1-[[(1S)-1-(hydroxymethyl)-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-4-methyl-5-oxo-pentyl]amino]-1-methyl-2-oxo-ethyl]carbamate
데이터베이스 식별자
- CAS
146794-68-5- PubChem CID
- 72980
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 166 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 918
관련 반응
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