Valinegramicidin C
기본 정보
- CAS
58442-65-2- 표준 SMILES
CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO)C(C)C)C(C)C)C(C)C- InChIKey
HABZTEMEEGKJMS-ZVOVLZPRSA-N- 분자식
- C97H139N19O18
- 평균 분자량
- 1,859.3 g/mol
- 단동위원소 질량
- 1,858.05454866
이름 및 식별자
- 우선 이름
- Valinegramicidin C
- IUPAC
- (2R)-2-[[(2S)-2-[[2-[[(2S)-2-formamido-3-methylbutanoyl]amino]acetyl]amino]propanoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-4-methylpentanamide
이름 및 동의어
Valinegramicidin C1-L-Valinegramicidin CUNII-8Z51IDG72XGramicidin A, 1-L-valine-11-tyrosine8Z51IDG72X58442-65-2Tryptophanamide, formyl-L-valylglycyl-L-alanyl-D-leucyl-L-alanyl-D-valyl-L-valyl-D-valyl-L-tryptophyl-D-leucyl-L-tyrosyl-D-leucyl-L-tryptophyl-D-leucyl-N-2-hydroxyethyl-Q27271227
데이터베이스 식별자
- CAS
58442-65-2- PubChem CID
- 25244167
- UNII
- 8Z51IDG72X
물성
구조 계산 물성
- XLogP
- 10.2
- 극성 표면적
- 553 Ų
- 수소 결합 공여자 수
- 21
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 52
- 무거운 원자 수
- 134
- 형식 전하
- 0
- 복잡도
- 3,880
관련 반응
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