(2S,6R)-6-[[(2R)-2-[[(2S)-2-[2-[(3R,4R,5S,6R)-3-acetamido-5-hydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxybutanoyl]amino]-2-amino-7-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid
기본 정보
- 표준 SMILES
CC(=O)N[C@H]1C(OP(=O)(O)OP(=O)(O)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@H](CO)[C@@H](O)[C@@H]1OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCC[C@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O- InChIKey
QSVYTJPCVMYPIS-HDFHLOPTSA-N- 분자식
- C87H143N7O23P2
- 평균 분자량
- 1,717 g/mol
- 단동위원소 질량
- 1,715.9710571
이름 및 식별자
- 우선 이름
- (2S,6R)-6-[[(2R)-2-[[(2S)-2-[2-[(3R,4R,5S,6R)-3-acetamido-5-hydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxybutanoyl]amino]-2-amino-7-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid
- IUPAC
- (2S,6R)-6-[[(2R)-2-[[(2S)-2-[2-[(3R,4R,5S,6R)-3-acetamido-5-hydroxy-2-[hydroxy-[hydroxy-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl]oxyphosphoryl]oxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxybutanoyl]amino]-2-amino-7-[[(2R)-1-[[(1R)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid
이름 및 동의어
DTXSID101344460
데이터베이스 식별자
- PubChem CID
- 11953872
- DTXSID
DTXSID101344460
물성
구조 계산 물성
- XLogP
- 11.7
- 극성 표면적
- 474 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 24
- 회전 가능 결합 수
- 60
- 무거운 원자 수
- 119
- 형식 전하
- 0
- 복잡도
- 3,740
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