Basic information
- CAS
134019-80-0- Standard SMILES
CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CN[C@@H](Cc1cnc[nH]1)C(=O)O)C(=O)O- InChIKey
DCMPFCQPELYATG-JYJNAYRXSA-N- Molecular formula
- C19H25N5O5
- Average molar mass
- 403.4 g/mol
- Monoisotopic mass
- 403.18556891
Overview
from Streptomyces bikiniensis; related to feldamycin; more information on cpd in press; melanin biosynthesis inhibitor
Names & identifiers
- Preferred name
- BU 3619E
- IUPAC
- (2S)-2-[[(2S)-2-carboxy-2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]ethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
- English name
- H-Pro-Leu-Gly-NH2 H2O
- Molecular formula
- C19H25N5O5
- Molecular weight
- 403.43
Names & synonyms
BU 3619EDTXSID30158462134019-80-0BU-3619EBMY-28566RefChem:121797DTXCID0080953Bmy 28566N-Methyl-L-phenylalanyl-3-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}-L-alanineBu-3819EMELANOSTATINOXYTOCIN FRAGMENT 7-9
Show more names
H-Pro-Leu-Gly-NH2 H2OL-PRO-LEU-GLY NH2 HEMIHYDRATEMelanostatin PRO-LEU-GLY-NH2(S)-PYRROLIDINE-2-CARBOXYLIC ACID [(S)-1-(CARBAMOYLMETHYL-CARBAMOYL)-3-METHYL-BUTYL]-AMIDEL-Alanine, 3-[[1-carboxy-2-(1H-imidazol-4-yl)ethyl]amino]-N-(N-methyl-L-phenylalanyl)-, (S)- (9CI)2-[[(2S)-3-Phenyl-2-(methylamino)propionyl]amino]-3-[[(1S)-2-(1H-imidazol-4-yl)-1-carboxyethyl]amino]propionic acid
Database identifiers
- CAS
134019-80-0- PubChem CID
- 196863
Properties
Computed structural properties
- XLogP
- -4.5
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 555
Physicochemical properties
- Boiling point
- 799.646 · 799.646±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.8 · 1.800±0.10(predicted)
Chemistry & industry
Suppliers6 total
Aladdin Scientific[email protected]
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
南京莱昂生物科技有限公司025-84523390 -127; 17705183659 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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