Basic information
- CAS
58773-34-5- Standard SMILES
CN(CC(=O)O)NC(=O)C[C@@H](N)CCCN.CN(CC(=O)O)NC(=O)C[C@@H](N)CCCN.O- InChIKey
XYCGQMDBAVZONU-UBKPKTQASA-N- Molecular formula
- C18H42N8O7
- Average molar mass
- 482.6 g/mol
- Monoisotopic mass
- 482.31764571
Overview
RN given refers to (S)-isomer; structure given in first source
Names & identifiers
- Preferred name
- epi-Deoxynegamycin
- IUPAC
- bis(2-[[[(3S)-3,6-diaminohexanoyl]amino]-methylamino]acetic acid);hydrate
- English name
- (S)-3,6-Diaminohexanoic acid N'-(carboxymethyl)-N'-methyl hydrazide
- Molecular formula
- C9H20N4O3
- Molecular weight
- 232.28
Names & synonyms
epi-Deoxynegamycin58773-34-5(S)-3,6-Diaminohexanoic acid, 2-(carboxymethyl)-2-methylhydrazideRefChem:1371163-epi-Deoxynegamycin hemihydrateDTXSID409742912-[[[(3S)-3,6-diaminohexanoyl]amino]-methylamino]acetic acid;hydrateHexanoic acid, 3,6-diamino, 2-(carboxymethyl)-2-methylhydrazide, L-, hemihydrate[2-(3,6-Diamino-1-hydroxyhexylidene)-1-methylhydrazinyl]acetic acid--water (2/1){2-[(3S)-3,6-Diamino-1-hydroxyhexylidene]-1-methylhydrazin-1-yl}acetic acid--water (2/1)3-Epi-Deoxynegamycin(3S)-N'-Carboxymethyl-N'-methyl-3,6-diaminohexanoic acid hydrazide
Show more names
(S)-3,6-Diaminohexanoic acid N'-(carboxymethyl)-N'-methyl hydrazideHexanoic acid, 3,6-diamino-, 2-(carboxymethyl)-2-methylhydrazide, (S)- (9CI)
Database identifiers
- CAS
58773-34-5- PubChem CID
- 42830
- DTXSID
DTXSID40974291
Properties
Computed structural properties
- Topological polar surface area
- 244 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 16
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 235
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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