기본 정보
- CAS
165315-14-0- 표준 SMILES
Cc1ncc(COC(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)N(C)Cc2csc(C(C)C)n2)C(C)C)s1- InChIKey
IBTJZDRNPNNZIO-UYDQTSAYSA-N- 분자식
- C38H50N6O5S2
- 평균 분자량
- 735 g/mol
- 단동위원소 질량
- 734.32841106
이름 및 식별자
- 우선 이름
- 2,4,7,12-Tetraazatridecan-13-oic acid, 9-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, (2-methyl-5-thiazolyl)methyl ester, (5S-(5R*,8R*,9R*,11R*))-
- IUPAC
- (2-methyl-1,3-thiazol-5-yl)methyl N-[(2S,4S,5S)-4-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
이름 및 동의어
165315-14-02,4,7,12-Tetraazatridecan-13-oic acid, 9-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, (2-methyl-5-thiazolyl)methyl ester, (5S-(5R*,8R*,9R*,11R*))-2,4,7,12-Tetraazatridecan-13-oic acid, 9-hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-thiazolyl]-3,6-dioxo-8,11-bis(phenylmethyl)-, (2-methyl-5-thiazolyl)methyl ester, [5S-(5R*,8R*,9R*,11R*)]-SCHEMBL7187545DTXSID10167911(2-methylthiazol-5-yl)methyl N-[(1S,3S,4S)-1-benzyl-3-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamateN-[(2S,3S,5S)-3-Hydroxy-5-({[(2-methyl-1,3-thiazol-5-yl)methoxy]carbonyl}amino)-1,6-diphenylhexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide
데이터베이스 식별자
- CAS
165315-14-0- PubChem CID
- 482944
- DTXSID
DTXSID10167911
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 202 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,080
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