기본 정보
- CAS
198904-14-2- 표준 SMILES
CC[C@H](C)[C@H](NC(=O)OC)C(=O)NN(Cc1ccc(-c2nnn(C(C)(C)c3ccccc3)n2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C- InChIKey
PDJUKGDVTQZFML-BIIKVYKSSA-N- 분자식
- C43H59N9O7
- 평균 분자량
- 814 g/mol
- 단동위원소 질량
- 813.45374523
이름 및 식별자
- 우선 이름
- 2,5,6,10,13-Pentaazatetradecanedioic acid, 12-(1,1-dimethylethyl)-8-hydroxy-6-((4-(2-(1-methyl-1-phenylethyl)-2H-tetrazol-5-yl)phenyl)methyl)-3-(1-methylpropyl)-4,11-dioxo-9-(phenylmethyl)-, dimethyl ester,(3S-(3R*(R*),8R*,9R*,12R*))-
- IUPAC
- methyl N-[(2S,3S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[[4-[2-(2-phenylpropan-2-yl)tetrazol-5-yl]phenyl]methyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]carbamate
이름 및 동의어
198904-14-22,5,6,10,13-Pentaazatetradecanedioic acid, 12-(1,1-dimethylethyl)-8-hydroxy-6-((4-(2-(1-methyl-1-phenylethyl)-2H-tetrazol-5-yl)phenyl)methyl)-3-(1-methylpropyl)-4,11-dioxo-9-(phenylmethyl)-, dimethyl ester,(3S-(3R*(R*),8R*,9R*,12R*))-1-(4-(2-(1-Methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl)-phenyl)-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino)-5(S)-N-(N-methoxycarbonyl-(L)-tert-leucyl)amino-6-phenyl-2-azahexane1-[4-[2-(1-Methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl]-phenyl]-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino]-5(S)-N-(N-methoxycarbonyl-(L)-tert-leucyl)amino-6-phenyl-2-azahexane2,5,6,10,13-Pentaazatetradecanedioic acid, 12-(1,1-dimethylethyl)-8-hydroxy-6-[[4-[2-(1-methyl-1-phenylethyl)-2H-tetrazol-5-yl]phenyl]methyl]-3-(1-methylpropyl)-4,11-dioxo-9-(phenylmethyl)-, dimethyl ester,[3S-[3R*(R*),8R*,9R*,12R*]]-SCHEMBL6156835DTXSID20173664PDJUKGDVTQZFML-BIIKVYKSSA-N1-{4-[2-(1-Methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl]-phenyl}-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-5(S)-N(N-methoxycarbonyl-(L)-tertleucy)amino-6-phenyl-2-azahexane
물성
구조 계산 물성
- XLogP
- 7
- 극성 표면적
- 202 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 21
- 무거운 원자 수
- 59
- 형식 전하
- 0
- 복잡도
- 1,330
관련 반응
6건
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