기본 정보
- 표준 SMILES
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OC)C(C)C)C(C)C- InChIKey
VOSIOPUBJWPQLP-XUJYPJAKSA-N- 분자식
- C31H51N5O7
- 평균 분자량
- 605.8 g/mol
- 단동위원소 질량
- 605.37884898
이름 및 식별자
- 우선 이름
- methyl N-[(1S)-1-[[(1S,2R)-1-benzyl-3-[cyclohexylmethyl-[[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]amino]amino]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamate
- IUPAC
- methyl N-[(2S)-1-[2-(cyclohexylmethyl)-2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]amino]-4-phenylbutyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
이름 및 동의어
CHEMBL107758SCHEMBL6443402VOSIOPUBJWPQLP-XUJYPJAKSA-N1-[2(r)-hydroxy-3(s)-(n-(methoxycarbonyl)-(l)-valyl)amino-4-phenylbutyl]-1-[cyclohexylmethyl]-2-[n-methoxycarbonyl-(l)-valyl]-hydrazine1-Cyclohexyl-5(S)-2,5-bis[[2-N-(methoxycarbonyl)-L-valinyl]amino]-4(R)-hydroxy-6-phenyl-2-azahexanemethyl N-[(1S)-1-[[(1S,2R)-1-benzyl-3-[cyclohexylmethyl-[[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]amino]amino]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamate
데이터베이스 식별자
- PubChem CID
- 461982
- ChEMBL
CHEMBL107758- Nikkaji
- J762.695I
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 158 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 875
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