(2R,3S)-2-[[(2R)-2-[[2-[[(2R,3R)-2-[[(2S,4R)-6-amino-2-[[(2R)-4-amino-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-4-amino-2-[(3-hydroxy-8-methylnonanoyl)amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxyhexanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid
기본 정보
- CAS
70943-81-6- 표준 SMILES
CC[C@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](C[C@H](O)CCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)CC(O)CCCCC(C)C)C(C)C)[C@@H](C)O)C(=O)O- InChIKey
BYDBXYKAICAWBU-CRSZIKCRSA-N- 분자식
- C65H99N15O18
- 평균 분자량
- 1,378.6 g/mol
- 단동위원소 질량
- 1,377.72925137
이름 및 식별자
- 우선 이름
- (2R,3S)-2-[[(2R)-2-[[2-[[(2R,3R)-2-[[(2S,4R)-6-amino-2-[[(2R)-4-amino-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-4-amino-2-[(3-hydroxy-8-methylnonanoyl)amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxyhexanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid
- IUPAC
- (2R,3S)-2-[[(2R)-2-[[2-[[(2R,3R)-2-[[(2S,4R)-6-amino-2-[[(2R)-4-amino-2-[[(2S)-4-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-4-amino-2-[(3-hydroxy-8-methylnonanoyl)amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxyhexanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid
- 영어명
- N2-(3-Hydroxy-8-methyl-1-oxononyl)-D-Asn-D-Val-D-Phe-L-Asn-D-Asn-[(4R)-4-hydroxy-L-Lys-]-D-aThr-Gly-D-Trp-D-aIle-OH
- 분자식
- C65H99N15O18
- 분자량
- 1378.57126
이름 및 동의어
Cerexin B1N2-(3-Hydroxy-8-methyl-1-oxononyl)-D-Asn-D-Val-D-Phe-L-Asn-D-Asn-[(4R)-4-hydroxy-L-Lys-]-D-aThr-Gly-D-Trp-D-aIle-OH
데이터베이스 식별자
- CAS
70943-81-6- PubChem CID
- 101817061
- Nikkaji
- J232.288I
물성
구조 계산 물성
- XLogP
- -3.8
- 극성 표면적
- 560 Ų
- 수소 결합 공여자 수
- 19
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 45
- 무거운 원자 수
- 98
- 형식 전하
- 0
- 복잡도
- 2,700
화학 및 산업
공급사1 곳
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
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