(S)-4-[(S)-4-Carboxy-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyryl]-3-methyl-piperazine-1-carboxylic acid ethyl ester

HCID 66856790
노트반응
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기본 정보

표준 SMILES
CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCC(=O)N3CCC[C@H]3C(=O)NC3CCC3)n(-c3ccccc3)n2)[C@@H](C)C1
InChIKey
BZZBQDSQFCPKKX-LNBJVWSJSA-N
분자식
C34H45N7O9
평균 분자량
695.8 g/mol

이름 및 식별자

우선 이름
(S)-4-[(S)-4-Carboxy-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyryl]-3-methyl-piperazine-1-carboxylic acid ethyl ester
IUPAC
(4S)-4-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]-5-[(2S)-4-ethoxycarbonyl-2-methylpiperazin-1-yl]-5-oxopentanoic acid

이름 및 동의어

CHEMBL2172152SCHEMBL956788BZZBQDSQFCPKKX-LNBJVWSJSA-NBDBM50397162(S)-4-[(S)-4-Carboxy-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyryl]-3-methyl-piperazine-1-carboxylic acid ethyl ester

데이터베이스 식별자

PubChem CID
66856790
ChEMBL
CHEMBL2172152

물성

구조 계산 물성

XLogP
2
극성 표면적
193 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
10
회전 가능 결합 수
14
무거운 원자 수
50

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