2-[3(S)-(tert-butoxycarbonyl)amino-5(S)-(p-tert-butyl-benzyl)-2(S)-hydroxy-6-methyl-heptyl]-N-butyl-acrylamide

HCID 54501741

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

관련 반응

11건

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