기본 정보
- CAS
95041-98-8- 표준 SMILES
CC(N)C(=O)NC(CCCN=C(N)N)C(O)CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC=O)(NC(=O)CCCC(N)C(=O)O)C2SC1- InChIKey
QIKMSWPGMFAWFV-IMEJHETLSA-N- 분자식
- C26H41N9O11S
- 평균 분자량
- 687.7 g/mol
- 단동위원소 질량
- 687.26462433
이름 및 식별자
- 우선 이름
- 7-[(5-Amino-5-carboxypentanoyl)amino]-3-[[4-(2-aminopropanoylamino)-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- IUPAC
- 7-[(5-amino-5-carboxypentanoyl)amino]-3-[[4-(2-aminopropanoylamino)-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 현지명
- 키티노보린A
- 영어명
- chitinovorin A
- 분자식
- C26H41N9O11S
- 분자량
- 687.72
이름 및 동의어
7-[(5-amino-5-carboxypentanoyl)amino]-3-[[4-(2-aminopropanoylamino)-7-(diaminomethylideneamino)-3-hydroxyheptanoyl]oxymethyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidorb3024450SCHEMBL29556672DTXSID80915148TN104715-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((5-amino-5-carboxy-1-oxopentyl)amino)-3-(((7-((aminoiminomethyl)amino)-4-((2-amino-1-oxopropyl)amino)-3-hydroxy-1-oxoheptyl)oxy)methyl)-7-(formylamino)-8-oxo-, (6R-(3(3R*,4S*(S*)),6alpha,7beta(R*)))-7-[(5-Amino-5-carboxy-1-hydroxypentylidene)amino]-3-[({4-[(2-amino-1-hydroxypropylidene)amino]-7-(carbamimidoylamino)-3-hydroxyheptanoyl}oxy)methyl]-7-[(hydroxymethylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid7-[(5-Amino-5-carboxy-1-hydroxypentylidene)amino]-3-[({4-[(2-amino-1-hydroxypropylidene)amino]-7-carbamimidamido-3-hydroxyheptanoyl}oxy)methyl]-7-[(hydroxymethylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid키티노보린ACephabacin F1
물성
구조 계산 물성
- XLogP
- -8.8
- 극성 표면적
- 370 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,290
물리화학적 성질
- 밀도
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.49 · 2.49±0.24(Predicted)
화학 및 산업
공급사2 곳
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
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