페닐알라닐-발릴-페닐알라닐-psi(메틸아미노)류실-글루타밀-이소류신아미드

Phenylalanyl-valyl-phenylalanyl-psi(methylamino)leucyl-glutamyl-isoleucineamide

HCID 3081893
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기본 정보

CAS
152017-02-2
표준 SMILES
CC[C@H](C)[C@H](NC[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(N)=O
InChIKey
HOWQLLQUJPNZDI-LWVFPSBSSA-N
분자식
C40H61N7O7
평균 분자량
752 g/mol
단동위원소 질량
751.46324729

개요

used to determine crystal structure of HIV-2 protease; structure given in first source

이름 및 식별자

우선 이름
Phenylalanyl-valyl-phenylalanyl-psi(methylamino)leucyl-glutamyl-isoleucineamide
IUPAC
(4S)-5-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoic acid
현지명
페닐알라닐-발릴-페닐알라닐-psi(메틸아미노)류실-글루타밀-이소류신아미드
영어명
phenylalanyl-valyl-phenylalanyl-psi(methylamino)leucyl-glutamyl-isoleucineamide
분자식
C40H61N7O7
분자량
751.96

이름 및 동의어

152017-02-2Phenylalanyl-valyl-phenylalanyl-psi(methylamino)leucyl-glutamyl-isoleucineamidePhe-val-phe-psi(Ch2NH)-leu-glu-ile amideDTXSID00164939RefChem:173040DTXCID6087430BI-LA-398(4S)-5-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoic acidL-Phenylalanyl-L-valyl-L-phenylalanyl-psi-(CH2-NH)-L-leucyl-L-alpha-glutamyl-L-isoleucinamideL-Isoleucinamide, L-phenylalanyl-L-valyl-L-phenylalanyl-psi-(CH2-NH)-L-leucyl-L-alpha-glutamyl-L-Isoleucinamide, N-(3-phenyl-2-((N-L-phenylalanyl-L-valyl)amino)propyl)-L-leucyl-L-alpha-glutanyl-, (S)-L-Phenylalanyl-L-valyl-L-phenylalanyl-N-[(2S)-1-{[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino}-4-carboxybutan-2-yl]-L-leucinamide
이름 더 보기
페닐알라닐-발릴-페닐알라닐-psi(메틸아미노)류실-글루타밀-이소류신아미드L-Isoleucinamide, L-phenylalanyl-L-valyl-L-phenylalanyl-ψ(CH2-NH)-L-leucyl-L-α-glutamyl- (9CI)

데이터베이스 식별자

CAS
152017-02-2
PubChem CID
3081893
DTXSID
DTXSID00164939

물성

구조 계산 물성

XLogP
1.6
극성 표면적
235 Ų
수소 결합 공여자 수
8
수소 결합 수용자 수
9
회전 가능 결합 수
24
무거운 원자 수
54

화학 및 산업

공급사1 곳

CHEMICAL LAND21[email protected]

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