(4R,7S,10S,13S,16S,19R)-N-[(2R)-1-Amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-10-(3-aminopropyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
기본 정보
- CAS
160161-61-5- 표준 SMILES
CC(C)[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O- InChIKey
GLVLDCUADDSQSK-CCNIVULGSA-N- 분자식
- C62H71N11O9S2
- 평균 분자량
- 1,178.4 g/mol
- 단동위원소 질량
- 1,177.48776523
이름 및 식별자
- 우선 이름
- (4R,7S,10S,13S,16S,19R)-N-[(2R)-1-Amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-10-(3-aminopropyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
- IUPAC
- (4R,7S,10S,13S,16S,19R)-N-[(2R)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-10-(3-aminopropyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
- 영어명
- BIM-23127
- 분자식
- C62H73N11O9S2
- 분자량
- 1180.44
이름 및 동의어
179188-73-9BIM-23127(4R,7S,10S,13S,16S,19R)-N-[(2R)-1-Amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-10-(3-aminopropyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide160161-61-5H-D-2-NAL-CYS-TYR-D-TRP-ORN-VAL-CYS-2-NAL-NH2SCHEMBL30195625(4R,7S,10S,13S,16S,19R)-N-[(2R)-1-Amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-10-(3-aminopropyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,FB109397M.W. 1178.43 C62H71N11O9S2H-D-ALA(2-NAPHTHYL)-CYS-TYR-D-TRP-ORN-VAL-CYS-ALA(2-NAPHTHYL)-NH2
데이터베이스 식별자
- CAS
160161-61-5- PubChem CID
- 71311699
- DTXSID
DTXSID80746651
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 385 Ų
- 수소 결합 공여자 수
- 12
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 84
- 형식 전하
- 0
- 복잡도
- 2,230
물리화학적 성질
- 저장 조건
- -20 °C · Desiccate at -20°C
- 용해도
- 2 mg/ml · Soluble to 2 mg/ml in 20% acetonitrile
- 물리적 상태
- 가루
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