Basic information
- CAS
908127-11-7- Standard SMILES
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O- InChIKey
MLIDGHHNORMYBT-JEPOCXBBSA-N- Molecular formula
- C57H89N19O19
- Average molar mass
- 1,344.4 g/mol
Names & identifiers
- Preferred name
- H-Arg-thr-val-hyp-ser-gly-hyp-asp-pro-leu-his-his-OH
- IUPAC
- (3S)-3-[[(2S,4R)-1-[2-[[(2S)-2-[[(2S,4R)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]acetyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-4-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid
- English name
- MCLV3
- Molecular formula
- C57H89N19O19
- Molecular weight
- 1344.43
Names & synonyms
908127-11-7MCLV3 trifluoroacetate saltH-RTV(hyP)SG(hyP)DPLHH-OHH-ARG-THR-VAL-HYP-SER-GLY-HYP-ASP-PRO-LEU-HIS-HIS-OHFM109893MCLV3L-Histidine, L-arginyl-L-threonyl-L-valyl-(4R)-4-hydroxy-L-prolyl-L-serylglycyl-(4R)-4-hydroxy-L-prolyl-L-α-aspartyl-L-prolyl-L-leucyl-L-histidyl-
Database identifiers
- CAS
908127-11-7
Properties
Computed structural properties
- XLogP
- -9.1
- Topological polar surface area
- 597 Ų
- Hydrogen bond donors
- 19
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 35
- Heavy atoms
- 95
- Formal charge
- 0
- Complexity
- 2,780
Physicochemical properties
- Density
- 1.621 · 1.621±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.726 · 2.726±0.10(predicted)
Chemistry & industry
Suppliers4 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
吉尔生化(上海)有限公司21-61263452 13641803416 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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