ER-35786

HCID 6918311
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기본 정보

CAS
186319-97-1
표준 SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H]([C@H](O)[C@@H]4CCNC4)C3)[C@H](C)[C@H]12.Cl
InChIKey
WRVJTXDJDKITNK-XNGFCKKMSA-N
분자식
C19H30ClN3O5S
평균 분자량
448 g/mol
단동위원소 질량
447.15946974

이름 및 식별자

우선 이름
ER-35786
IUPAC
(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(3S,5S)-5-[(R)-hydroxy-[(3R)-pyrrolidin-3-yl]methyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrochloride

이름 및 동의어

ER-35786Er 35786RefChem:921085E-1010186319-97-1UNII-OB4VR2PM24OB4VR2PM241-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-((1R)-1-hydroxyethyl)-3-(((3S,5S)-5-((R)-hydroxy(3R)-3-pyrrolidinylmethyl)-3-pyrrolidinyl)thio)-4-methyl-7-oxo-, hydrochloride (1:1), (4R,5S,6S)-E1010SCHEMBL3057639DTXSID70171877WRVJTXDJDKITNK-XNGFCKKMSA-N
이름 더 보기
(4R,5S,6S)-6-[(1R)-1-Hydroxyethyl]-3-[(3S,5S)-5-[(R)-hydroxy-[(3R)-pyrrolidin-3-yl]methyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrochlorideQ27285547(+)-E-1010(4R,5S,6S)-6-[(1R)-1-Hydroxyethyl]-3-{[(3S,5S)-5-{(R)-hydroxy[(3R)-pyrrolidin-3-yl]methyl}pyrrolidin-3-yl]sulfanyl}-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid--hydrogen chloride (1/1)

데이터베이스 식별자

CAS
186319-97-1
PubChem CID
6918311
DTXSID
DTXSID70171877
UNII
OB4VR2PM24

물성

구조 계산 물성

극성 표면적
147 Ų
수소 결합 공여자 수
6
수소 결합 수용자 수
8
회전 가능 결합 수
6
무거운 원자 수
29

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