Cyclopenta[b]pyrrole-5-carboxylic acid, 6-[3-(2-carboxyethyl)-5-[(4-ethenyl-2,5-dihydro-3-methyl-5-oxo-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-2-[[5-formyl-3-(2-hydroxyethyl)-4-methyl-1H-pyrrol-2-yl]methyl]-1,4,5,6-tetrahydro-3-methyl-4-oxo-, potassium salt (1:2)
기본 정보
- CAS
173740-48-2- 표준 SMILES
C=CC1=C(C)C(Cc2[nH]c(C3c4[nH]c(Cc5[nH]c(C=O)c(C)c5CCO)c(C)c4C(=O)C3C(=O)[O-])c(CCC(=O)[O-])c2C)NC1=O.[K+].[K+]- InChIKey
WSUSUQBIHBTBMI-UHFFFAOYSA-L- 분자식
- C34H36K2N4O8
- 평균 분자량
- 706.9 g/mol
- 단동위원소 질량
- 706.1807271
이름 및 식별자
- 우선 이름
- Cyclopenta[b]pyrrole-5-carboxylic acid, 6-[3-(2-carboxyethyl)-5-[(4-ethenyl-2,5-dihydro-3-methyl-5-oxo-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-2-[[5-formyl-3-(2-hydroxyethyl)-4-methyl-1H-pyrrol-2-yl]methyl]-1,4,5,6-tetrahydro-3-methyl-4-oxo-, potassium salt (1:2)
- IUPAC
- dipotassium;6-[3-(2-carboxylatoethyl)-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-2-[[5-formyl-3-(2-hydroxyethyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-4-oxo-5,6-dihydro-1H-cyclopenta[b]pyrrole-5-carboxylate
이름 및 동의어
DTXSID501374215173740-48-2Cyclopenta[b]pyrrole-5-carboxylic acid, 6-[3-(2-carboxyethyl)-5-[(4-ethenyl-2,5-dihydro-3-methyl-5-oxo-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-2-[[5-formyl-3-(2-hydroxyethyl)-4-methyl-1H-pyrrol-2-yl]methyl]-1,4,5,6-tetrahydro-3-methyl-4-oxo-, potassium salt (1:2)
데이터베이스 식별자
- CAS
173740-48-2- PubChem CID
- 177843682
- DTXSID
DTXSID501374215
물성
구조 계산 물성
- 극성 표면적
- 211 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,270
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