N-[N-[N-[N-[N-[3-(tert-butoxycarbonyl)propionyl]-O-tert-butyl-L-alpha-aspartyl]-O-tert-butyl-L-alpha-glutamyl]-2-methyl-L-phenylalanyl]-3-methyl-L-valyl]-L-leucine

HCID 22942121

기본 정보

표준 SMILES
Cc1ccccc1C[C@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)CCC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)(C)C
InChIKey
ADTYOHLGTUWMKU-RKNLPEHYSA-N
분자식
C47H75N5O13
평균 분자량
918.1 g/mol
단동위원소 질량
917.53613746

이름 및 식별자

우선 이름
N-[N-[N-[N-[N-[3-(tert-butoxycarbonyl)propionyl]-O-tert-butyl-L-alpha-aspartyl]-O-tert-butyl-L-alpha-glutamyl]-2-methyl-L-phenylalanyl]-3-methyl-L-valyl]-L-leucine
IUPAC
(2S)-2-[[(2S)-3,3-dimethyl-2-[[(2S)-3-(2-methylphenyl)-2-[[(2S)-5-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-4-[(2-methylpropan-2-yl)oxy]-2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]butanoyl]amino]-4-methylpentanoic acid

이름 및 동의어

SCHEMBL7448839ADTYOHLGTUWMKU-RKNLPEHYSA-NN-[N-[N-[N-[N-[3-(tert-butoxycarbonyl)propionyl]-O-tert-butyl-L-alpha-aspartyl]-O-tert-butyl-L-alpha-glutamyl]-2-methyl-L-phenylalanyl]-3-methyl-L-valyl]-L-leucine

데이터베이스 식별자

PubChem CID
22942121

물성

구조 계산 물성

XLogP
5.1
극성 표면적
262 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
13
회전 가능 결합 수
29
무거운 원자 수
65

관련 반응

7건

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