기본 정보
- CAS
138228-18-9- 표준 SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CO)C(=O)N[C@H](C(N)=O)C(C)C- InChIKey
SDZWIVRVKZWANS-VAGTVTNBSA-N- 분자식
- C42H60N8O11
- 평균 분자량
- 853 g/mol
- 단동위원소 질량
- 852.43815476
이름 및 식별자
- 우선 이름
- Ser-Phe-Asn-Pns-Pro-Ile-Val-NH2
- IUPAC
- (3S)-3-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S,3R)-4-[(2S)-2-[[(2S,3S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-4-oxobutanoic acid
이름 및 동의어
Ser-Phe-Asn-Pns-Pro-Ile-Val-NH2KNI 122138228-18-9KNI-122(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S,3R)-4-[(2S)-2-[[(2S,3S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-4-oxobutanoic acidL-Valinamide, L-seryl-L-phenylalanyl-L-asparaginyl-(2R,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-L-prolyl-L-isoleucyl-DTXSID70160544(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-[[(1S,2R)-1-benzyl-3-[(2S)-2-[[(1S,2S)-1-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-2-hydroxy-3-oxo-propyl]amino]-4-oxo-butanoic acidL-Seryl-L-phenylalanyl-N-{(2S,3R)-4-[(2S)-2-{[(2S,3S)-1-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-3-methyl-1-oxopentan-2-yl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-L-alpha-asparagine
데이터베이스 식별자
- CAS
138228-18-9- PubChem CID
- 453497
- DTXSID
물성
구조 계산 물성
- XLogP
- -1.9
- 극성 표면적
- 313 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 61
- 형식 전하
- 0
- 복잡도
- 1,520
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