기본 정보
- CAS
165074-99-7- 표준 SMILES
CC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)C(C)C- InChIKey
CFJSRALSOWEJGV-WAGJPQHASA-N- 분자식
- C46H58N6O9
- 평균 분자량
- 839 g/mol
- 단동위원소 질량
- 838.42652745
이름 및 식별자
- 우선 이름
- 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)-
- IUPAC
- (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
이름 및 동의어
LP 149LP-149165074-99-7L-Alaninamide, N-acetyl-3-(1-naphthalenyl)-L-alanyl-L-valyl-(3S,4S)-4-amino-3-hydroxy-6-methylheptanoyl-(2S)-2-aminobutanoyl-3-(1-naphthalenyl)-1fivSCHEMBL29473544DTXSID20167841(4S)-4-[[(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-(1-naphthyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]-5-[[(1S)-2-amino-1-(1-naphthylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid(4S,7S,10S,11S,15S)-15-{[(2S)-1-Amino-3-(naphthalen-1-yl)-1-oxopropan-2-yl]carbamoyl}-11-hydroxy-10-(2-methylpropyl)-4-[(naphthalen-1-yl)methyl]-2,5,8,13-tetraoxo-7-(propan-2-yl)-3,6,9,14-tetraazaoctadecan-18-oic acid
데이터베이스 식별자
- CAS
165074-99-7- PubChem CID
- 449338
- DTXSID
DTXSID20167841
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 246 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 61
- 형식 전하
- 0
- 복잡도
- 1,510
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