D-Streptamine, O-2-deoxy-2-(methylamino)-I+/--L-glucopyranosyl-(1a2)-O-5-deoxy-3-C-formyl-I+/--L-lyxofuranosyl-(1a4)-N,Na(2)-bis(aminoiminomethyl)-, sulfate (2:3) (salt), mixt. with (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
기본 정보
- CAS
54497-53-9- 표준 SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.C[NH2+][C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H]([NH2+]C(=N)N)[C@@H](O)[C@@H]3[NH2+]C(=N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.C[NH2+][C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H]([NH2+]C(=N)N)[C@@H](O)[C@@H]3[NH2+]C(=N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-]- InChIKey
BQUNVCQMNGZIAK-FRJRXOAXSA-N- 분자식
- C74H120N18O44S5
- 평균 분자량
- 2,126.2 g/mol
- 단동위원소 질량
- 2,124.630935
이름 및 식별자
- 우선 이름
- D-Streptamine, O-2-deoxy-2-(methylamino)-I+/--L-glucopyranosyl-(1a2)-O-5-deoxy-3-C-formyl-I+/--L-lyxofuranosyl-(1a4)-N,Na(2)-bis(aminoiminomethyl)-, sulfate (2:3) (salt), mixt. with (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- IUPAC
- bis([(2S,3S,4S,5R,6S)-2-[(2R,3R,4R,5S)-2-[(1R,2S,3R,4R,5S,6R)-2,4-bis(carbamimidoylazaniumyl)-3,5,6-trihydroxycyclohexyl]oxy-4-formyl-4-hydroxy-5-methyloxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-methylazanium);bis((2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid);trisulfate
이름 및 동의어
DTXSID70136086854497-53-9D-Streptamine, O-2-deoxy-2-(methylamino)-I+/--L-glucopyranosyl-(1a2)-O-5-deoxy-3-C-formyl-I+/--L-lyxofuranosyl-(1a4)-N,Na(2)-bis(aminoiminomethyl)-, sulfate (2:3) (salt), mixt. with (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
데이터베이스 식별자
- CAS
54497-53-9- PubChem CID
- 177841891
- DTXSID
DTXSID701360868
물성
구조 계산 물성
- 극성 표면적
- 1,180 Ų
- 수소 결합 공여자 수
- 32
- 수소 결합 수용자 수
- 50
- 회전 가능 결합 수
- 30
- 무거운 원자 수
- 141
- 형식 전하
- 0
- 복잡도
- 1,510
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…