기본 정보
- 표준 SMILES
COC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1- InChIKey
DRDQKOKQQIVXRZ-YTMVLYRLSA-N- 분자식
- C31H42N4O6S
- 평균 분자량
- 598.8 g/mol
이름 및 식별자
- 우선 이름
- (1S,5S)-(1-{5-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2-naphthalen-2-yl-ethyl)-carbamic Acid Methyl Ester
- IUPAC
- methyl N-[(2S)-1-[[(5S)-5-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-6-hydroxyhexyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
이름 및 동의어
SCHEMBL2781159SCHEMBL29988081DRDQKOKQQIVXRZ-YTMVLYRLSA-NMX-70(1S,5S)-(1-{5-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-6-hydroxy-hexylcarbamoyl}-2-naphthalen-2-yl-ethyl)-carbamic Acid Methyl EsterCarbamic acid, [(1S)-2-[[(5S)-5-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-6-hydroxyhexyl]amino]-1-(2-naphthalenylmethyl)-2-oxoethyl]-, methyl estermethyl N-[(1S)-2-[[(5S)-5-[(4-aminophenyl)sulfonyl-isobutyl-amino]-6-hydroxy-hexyl]amino]-1-(2-naphthylmethyl)-2-oxo-ethyl]carbamate
데이터베이스 식별자
- PubChem CID
- 513951
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 159 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 934
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