allyl (4R,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate (HCID 14329061)

기본 정보

표준 SMILES: C=CCOC(=O)C1C(=O)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12
InChIKey: MGFFKYHPWGLFLO-WWGUJXLXSA-N
분자식: C13H17NO5
평균 분자량: 267.28 g/mol

이름 및 식별자

우선 이름: allyl (4R,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC: prop-2-enyl (4R,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

이름 및 동의어

SCHEMBL12706880MGFFKYHPWGLFLO-WWGUJXLXSA-Nallyl (4R,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3,7-dioxo-1-azabicyclo-[3.2.0]heptane-2-carboxylateallyl (4R,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

데이터베이스 식별자

PubChem CID: 14329061

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 83.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 446

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