기본 정보
- 표준 SMILES
C=C(C[C@H](O)[C@H](C[C@H](Cc1ccc(C(C)(C)C)cc1)C(C)C)NC(=O)OC(C)(C)C)C(=O)NCCCC- InChIKey
YCXHYEYBRKZCRP-URORMMCBSA-N- 분자식
- C31H52N2O4
- 평균 분자량
- 516.8 g/mol
이름 및 식별자
- 우선 이름
- 2-[3(S)-(tert-butoxycarbonyl)amino-5(S)-(p-tert-butyl-benzyl)-2(S)-hydroxy-6-methyl-heptyl]-N-butyl-acrylamide
- IUPAC
- tert-butyl N-[(4S,5S,7S)-2-(butylcarbamoyl)-7-[(4-tert-butylphenyl)methyl]-4-hydroxy-8-methylnon-1-en-5-yl]carbamate
이름 및 동의어
SCHEMBL8905014YCXHYEYBRKZCRP-URORMMCBSA-N2-[3(S)-(tert-butoxycarbonyl)amino-5(S)-(p-tert-butyl-benzyl)-2(S)-hydroxy-6-methyl-heptyl]-N-butyl-acrylamideN-Tert-butoxycarbonyl-2-methylene-4 (S)-hydroxy-5(S)-amino-7(S)-isopropyl-8-(p-tert-butyl-phenyl)-octanoic acid (N-butyl)amideN-Tert-butoxycarbonyl-2-methylene-4(S)-hydroxy-5(S)-amino-7(S)-isopropyl-8-(p-tert-butyl-phenyl)-octanoic acid (N-butyl)amideN-tert-butoxycarbonyl-2-methylene-4-(S)-hydroxy-5-(S)-amino-7(S)-isopropyl-8-(p-tert-butyl-phenyl)-octanoic acid (N-butyl)amide
데이터베이스 식별자
- PubChem CID
- 54501741
물성
구조 계산 물성
- XLogP
- 7.4
- 극성 표면적
- 87.7 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 712
관련 반응
11건
화합물 노트
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