(2S)-6-[[(2S)-3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid

HCID 508608

기본 정보

표준 SMILES
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)C(=O)O)cc1
InChIKey
SGHRQNDRPHXEAM-HEVIKAOCSA-N
분자식
C38H51N3O8S
평균 분자량
709.9 g/mol

이름 및 식별자

우선 이름
(2S)-6-[[(2S)-3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acid
IUPAC
(2S)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-6-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]hexanoic acid

이름 및 동의어

SGHRQNDRPHXEAM-HEVIKAOCSA-N(2S)-6-[[(2S)-3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]-2-[isobutyl(p-tolylsulfonyl)amino]hexanoic acidN.alpha.-isobutyl-N.alpha.-(4-methylbenzenesulfonyl)-N.epsilon.-(N'.alpha.-tert-butoxycarbonyl-O-benzyl-L-tyrosyl)-L-lysineNalpha-isobutyl-Nalpha-(4-methylbenzenesulfonyl)-Nepsilon-(N'alpha-tert-butoxycarbonyl-O-benzyl-L-tyrosyl)-L-lysine

데이터베이스 식별자

PubChem CID
508608

물성

구조 계산 물성

XLogP
7
극성 표면적
160 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
9
회전 가능 결합 수
20
무거운 원자 수
50

관련 반응

5건

연결된 노트

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