기본 정보
- CAS
198903-94-5- 표준 SMILES
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NN(Cc1ccc(-c2cncs2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)C- InChIKey
GADJPGPKQYKZQH-FTBTXDGJSA-N- 분자식
- C35H48N6O7S
- 평균 분자량
- 696.9 g/mol
- 단동위원소 질량
- 696.33051888
이름 및 식별자
- 우선 이름
- 2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-12-(1-methylethyl)-3-(1-methylpropyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(5-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S-(3R*(R*),8R*,9R*,12R*))-
- IUPAC
- methyl N-[(2S,3S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]amino]-4-phenylbutyl]-2-[[4-(1,3-thiazol-5-yl)phenyl]methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamate
이름 및 동의어
198903-94-52,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-12-(1-methylethyl)-3-(1-methylpropyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(5-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S-(3R*(R*),8R*,9R*,12R*))-1-(4-(Thiazol-5-yl)-phenyl)-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino)-5(S)-N-(N-methoxycarbonyl-(L)-valyl)amino-6-phenyl-2-azahexane1-[4-(Thiazol-5-yl)-phenyl]-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino]-5(S)-N-(N-methoxycarbonyl-(L)-valyl)amino-6-phenyl-2-azahexane2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-12-(1-methylethyl)-3-(1-methylpropyl)-4,11-dioxo-9-(phenylmethyl)-6-[[4-(5-thiazolyl)phenyl]methyl]-, dimethyl ester, [3S-[3R*(R*),8R*,9R*,12R*]]-SCHEMBL6550DTXSID30173655GADJPGPKQYKZQH-FTBTXDGJSA-N1-[4-(Thiazol-5-yl)-phenyl]-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-5(S)-N-(N-methoxycarbonyl-(L)-valyl)amino-6-phenyl-2-azahexaneMethyl [(5S,10S,11S,14S)-11-benzyl-5-[(2S)-butan-2-yl]-10-hydroxy-15-methyl-3,6,13-trioxo-8-{[4-(1,3-thiazol-5-yl)phenyl]methyl}-2-oxa-4,7,8,12-tetraazahexadecan-14-yl]carbamate
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 199 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,040
관련 반응
3건
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