16-((R)-{(2S,3S,4R,5R)-5-[2,4-Dioxo-3,4-dihydro-1 (2H)-pyrimidinyl]-3,4-dihydroxytetrahydro-2-furanyl}{[(3R,4S,5R)-5-({[(hexadecylamino)carbonyl]amino}methyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]oxy}methyl)-9-(1-hydroxy-2-methylpropyl)-6-(2-iminohexahydro-4-pyrimidinyl)-2-isopropyl-4,7,10-trioxo-3,5,8,11,15-pentaazaheptadecane-1,17-dioic Acid
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기본 정보
- 표준 SMILES
CCCCCCCCCCCCCCCCNC(=O)NC[C@H]1OC(O[C@H](C(NCCCNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C2CCNC(=N)N2)C(O)C(C)C)C(=O)O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](OC)[C@H]1O- InChIKey
ZFZAUUGSKFICHU-XMNQSBFHSA-N- 분자식
- C55H96N12O18
- 평균 분자량
- 1,213.4 g/mol
- 단동위원소 질량
- 1,212.69655426
이름 및 식별자
- 우선 이름
- 16-((R)-{(2S,3S,4R,5R)-5-[2,4-Dioxo-3,4-dihydro-1 (2H)-pyrimidinyl]-3,4-dihydroxytetrahydro-2-furanyl}{[(3R,4S,5R)-5-({[(hexadecylamino)carbonyl]amino}methyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]oxy}methyl)-9-(1-hydroxy-2-methylpropyl)-6-(2-iminohexahydro-4-pyrimidinyl)-2-isopropyl-4,7,10-trioxo-3,5,8,11,15-pentaazaheptadecane-1,17-dioic Acid
- IUPAC
- 2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[1-[3-[[(2R)-1-carboxy-2-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-[(3R,4S,5R)-5-[(hexadecylcarbamoylamino)methyl]-4-hydroxy-3-methoxyoxolan-2-yl]oxyethyl]amino]propylamino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid
이름 및 동의어
ZFZAUUGSKFICHU-XMNQSBFHSA-N16-((R)-{(2S,3S,4R,5R)-5-[2,4-Dioxo-3,4-dihydro-1 (2H)-pyrimidinyl]-3,4-dihydroxytetrahydro-2-furanyl}{[(3R,4S,5R)-5-({[(hexadecylamino)carbonyl]amino}methyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]oxy}methyl)-9-(1-hydroxy-2-methylpropyl)-6-(2-iminohexahydro-4-pyrimidinyl)-2-isopropyl-4,7,10-trioxo-3,5,8,11,15-pentaazaheptadecane-1,17-dioic Acid
데이터베이스 식별자
- PubChem CID
- 86587432
물성
구조 계산 물성보충 중
- XLogP
- 0.1
- 극성 표면적
- 445 Ų
- 수소 결합 공여자 수
- 16
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 39
- 무거운 원자 수
- 85
- 형식 전하
- 0
- 복잡도
- 2,210
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