기본 정보
- CAS
124020-61-7- 표준 SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@H](C(=O)O)C(C)C- InChIKey
ORXLSWQOYHIVKX-LURVAWHWSA-N- 분자식
- C42H68N10O11
- 평균 분자량
- 889 g/mol
- 단동위원소 질량
- 888.50690302
이름 및 식별자
- 우선 이름
- H-Val-Ser-Gln-Asn-Phe-psi(CH2N)-Pro-Ile-Val-OH
- IUPAC
- (2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid
이름 및 동의어
H-Val-Ser-Gln-Asn-Phe-psi(CH2N)-Pro-Ile-Val-OHU-84645E124020-61-7CHEMBL77671DTXSID40154192BDBM50009256H-Val-Ser-Gln-Asn-Phe-.psi.[CH2N]-Pro-Ile-Val-OH(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-phenyl-propyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoic acid2-{1-[1-(2-{1-[1-(1-amino-2-methyl-(1S)-butanamide-2-hydroxyethylcarboxamido)-3-carbamoylpropylcarboxamido]-2-carbamoylethylcarboxamido}-3-phenylpropyl)tetrahydro-1H-2-pyrrolylcarboxamido]-2-methylbutylcarboxamido}-3-methylbutanoic acidL-Valyl-L-seryl-L-glutaminyl-N~1~-{(2S)-1-[(2S)-2-{[(2S,3S)-1-{[(1S)-1-carboxy-2-methylpropyl]amino}-3-methyl-1-oxopentan-2-yl]carbamoyl}pyrrolidin-1-yl]-3-phenylpropan-2-yl}-L-aspartamide
데이터베이스 식별자
- CAS
124020-61-7- PubChem CID
- 451655
- DTXSID
DTXSID40154192- ChEMBL
CHEMBL77671- Nikkaji
- J424.117G
물성
구조 계산 물성
- XLogP
- -2.8
- 극성 표면적
- 348 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 27
- 무거운 원자 수
- 63
- 형식 전하
- 0
- 복잡도
- 1,590
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…