3(R)-t-butoxycarbonylamino-N-(2,2-dimethyl-1(S)-methylcarbamoylpropyl)succinamic acid benzyl ester

HCID 53706532

기본 정보

표준 SMILES
CNC(=O)[C@@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(C)(C)C
InChIKey
BXOSNBNCMAIEKS-SJLPKXTDSA-N
분자식
C23H35N3O6
평균 분자량
449.5 g/mol
단동위원소 질량
449.25258584

이름 및 식별자

우선 이름
3(R)-t-butoxycarbonylamino-N-(2,2-dimethyl-1(S)-methylcarbamoylpropyl)succinamic acid benzyl ester
IUPAC
benzyl (3R)-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate

이름 및 동의어

SCHEMBL7406802BXOSNBNCMAIEKS-SJLPKXTDSA-N3(R)-t- butyloxycarbonylamino-N-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl)succinamic acid benzyl ester3(R)-t-butoxycarbonylamino-N-(2, 2-dimethyl-1(S)-(methylcarbamoyl)propyl)succinamic acid benzyl ester3(R)-t-butoxycarbonylamino-N-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl)succinamic acid benzyl ester3(R)-t-butoxycarbonylamino-N-(2,2-dimethyl-1(S)-(methylcarbarnoyl)propyl)succinamic acid benzyl ester3(R)-t-butoxycarbonylamino-N-(2,2-dimethyl-1(S)-methylcarbamoylpropyl)succinamic acid benzyl ester3(R)-t-butyloxycarbonylamino-N-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl)succinamic acid benzyl ester3(R)-t-butyloxycarbonylamino-N-(2,2-dimethyl-1(S)-(methylcarbarnoyl)propyl)succinamic acid benzyl ester3-(R)-t-butoxycarbonylamino-N-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl)succinamic acid benzyl esterN-(2,2-dimethyl-1(S)-(methylcarbamoyl)propyl)-3(R)-t-butoxycarbonylamino-succinamic acid benzyl esterN-(2,2-dimethyl-1(S)-(methylcarbarnoyl)propyl)-3(R)-t-butoxycarbonylamino-succinamic acid benzyl ester

데이터베이스 식별자

PubChem CID
53706532

물성

구조 계산 물성

XLogP
2.7
극성 표면적
123 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
12
무거운 원자 수
32

관련 반응

41건

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