기본 정보
- CAS
153314-49-9- 표준 SMILES
CCC(NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O- InChIKey
ACPDNLLISIAERE-GFFZWOAJSA-N- 분자식
- C45H58N6O7
- 평균 분자량
- 795 g/mol
- 단동위원소 질량
- 794.43669821
이름 및 식별자
- 우선 이름
- (3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutanoyl]amino]-N-[1-[[(2S)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-3-hydroxy-6-methylheptanamide
- IUPAC
- (3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutanoyl]amino]-N-[1-[[(2S)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-3-hydroxy-6-methylheptanamide
- 영어명
- L-Alaninamide, N-acetyl-3-(1-naphthalenyl)-L-alanyl-L-valyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-(2S)-2-aminobutanoyl-3-(1-naphthalenyl)-
- 분자식
- C45H58N6O7
- 분자량
- 794.98
이름 및 동의어
153314-49-9LP 130LP-130(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutanoyl]amino]-N-[1-[[(2S)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-3-hydroxy-6-methylheptanamideL-Alaninamide, N-acetyl-3-(1-naphthalenyl)-L-alanyl-L-valyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-L-alpha-glutamyl-3-(1-naphthalenyl)-Ac-Nal-Val-Sta-Glu-Nal-NH2SCHEMBL29444966DTXSID90934729(3s,4s)-4-[[(2s)-2-[[(2s)-2-acetamido-3-(1-naphthyl)propanoyl]amino]-3-methyl-butanoyl]amino]-n-[1-[[(1s)-2-amino-1-(1-naphthylmethyl)-2-oxo-ethyl]carbamoyl]propyl]-3-hydroxy-6-methyl-heptanamide(4S)-4-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-5-[[(2S)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid(4S,7S,10S,11S,18S)-15-Ethyl-2,5,8,11,13,16-hexahydroxy-10-(2-methylpropyl)-4,18-bis[(naphthalen-1-yl)methyl]-7-(propan-2-yl)-3,6,9,14,17-pentaazanonadeca-2,5,8,13,16-pentaen-19-imidic acid
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 209 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,390
물리화학적 성질
- 끓는 점
- 1174 · 1174.0±65.0 °C(Predicted)
- 밀도
- 1.201 · 1.201±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.15 · 13.15±0.46(Predicted)
화학 및 산업
공급사3 곳
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
江西辐氨生物技术有限公司15002819872 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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