기본 정보
- 표준 SMILES
COC(=O)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)CNc2ccccc21- InChIKey
SHBGUYJGAFRQIY-LBPRGKRZSA-N- 분자식
- C17H23N3O5
- 평균 분자량
- 349.4 g/mol
이름 및 식별자
- 우선 이름
- (3S)-2-Oxo-3-tert-butoxycarbonylamino-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-acetic acid methyl ester
- IUPAC
- methyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2,3-dihydro-1H-1,5-benzodiazepin-5-yl]acetate
이름 및 동의어
SCHEMBL645568SHBGUYJGAFRQIY-LBPRGKRZSA-N(3(S)-tert-Butoxycarbonylamino-2-oxo -2,3,4,5-tetrahydrobenzo[b][1,4]diazepin-1-yl)acetic Acid Methyl Ester(3(S)-tert-butoxycarbonylamino-2-oxo-2,3,4,5-tetrahydro-benzo[b] [1,4]diazepin-1-yl) acetic acid methyl ester(3(S)-tert-butoxycarbonylamino-2-oxo-2,3,4,5-tetrahydro-benzo[b] [1,4]diazepin-1-yl)acetic acid methyl ester(3(S)-tert-butoxycarbonylamino-2-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl) acetic acid methyl ester(3(S)-tert-butoxycarbonylamino-2-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl)acetic acid methyl ester(3(S)-tert-Butoxycarbonylamino-2-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]diazepin-1-yl)acetic acid methyl ester(3(S)-tertbutoxycarbonylamino-2-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl)acetic acid methyl ester(3S)-2-Oxo-3-tert-butoxycarbonylamino-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-acetic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 54305289
- Nikkaji
- J1.696.469G
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 97 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 517
관련 반응
82건
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