기본 정보
- CAS
174740-57-9- 표준 SMILES
C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCCCCC(=O)N[C@H](CCC(=O)O)CC(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12- InChIKey
ZHILRHGTUQVDGQ-HPGDPWOZSA-N- 분자식
- C46H78N2O5
- 평균 분자량
- 739.1 g/mol
- 단동위원소 질량
- 738.59107359
이름 및 식별자
- 우선 이름
- (4R)-N'-(N-3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)-4-amino-6-methylheptanoic acid
- IUPAC
- (4R)-4-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]-6-methylheptanoic acid
이름 및 동의어
174740-57-9(4R)-N'-(N-3beta-Hydroxylup-20(29)-en-28-oyl)-8-aminooctanoyl)-4-amino-6-methylheptanoic acidHeptanoic acid, 4-((8-(((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)amino)-1-oxooctyl)amino)-6-methyl-DTXSID30938569(4R)-4-[(8-{[3beta,28-Dihydroxylup-20(29)-en-28-ylidene]amino}-1-hydroxyoctylidene)amino]-6-methylheptanoic acid(4R)-4-[8-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]octanoylamino]-6-methyl-heptanoic acid(4R)-N'-[N-3.beta.-Hydroxylup-20(29)-en-28-oyl]-8-aminooctanoyl]-4-amino-6-methylheptanoic acid4-[(8-{[3,28-Dihydroxylup-20(29)-en-28-ylidene]amino}-1-hydroxyoctylidene)amino]-6-methylheptanoic acidHeptanoic acid, 4-[[8-[[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]amino]-1-oxooctyl]amino]-6-methyl-
데이터베이스 식별자
- CAS
174740-57-9- PubChem CID
- 463495
- DTXSID
DTXSID30938569
물성
구조 계산 물성
- XLogP
- 11
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,340
관련 반응
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