Basic information
- CAS
60830-80-0- Standard SMILES
CC(C)NCCCCNCCCNC(=O)/C=C/c1ccc(O[C@H]2O[C@H](C)[C@@H](NC(=O)N[C@H]3OC[C@@H](O[C@@H]4OC[C@H]5OC(=O)N[C@@H]5[C@H]4NC(N)=O)[C@H](O)[C@H]3NC(N)=O)[C@H](O)[C@H]2N=C(N)N)cc1- InChIKey
FJPCGBFVXKBORY-QTRGFMEWSA-N- Molecular formula
- C40H65N13O13
- Average molar mass
- 936 g/mol
- Monoisotopic mass
- 935.48247918
Names & identifiers
- Preferred name
- Iprocinodine II
- IUPAC
- (E)-3-[4-[(2R,3R,4S,5S,6R)-5-[[(2S,3R,4R,5R)-5-[[(3aS,6S,7R,7aR)-7-(carbamoylamino)-2-oxo-1,3a,4,6,7,7a-hexahydropyrano[4,3-d][1,3]oxazol-6-yl]oxy]-3-(carbamoylamino)-4-hydroxyoxan-2-yl]carbamoylamino]-3-(diaminomethylideneamino)-4-hydroxy-6-methyloxan-2-yl]oxyphenyl]-N-[3-[4-(propan-2-ylamino)butylamino]propyl]prop-2-enamide
Names & synonyms
Iprocinodine IIUNII-AA358NU48TAA358NU48T60830-80-0Antibiotic BM-123gamma2, 1-(1-methylethyl)-NIOSH/CB9442000LL-BM123 gamma, N-Isopropyl-Antibiotic LL-BM123 gamma, N-isopropyl-CB94420000Q27273829ANTIBIOTIC BM-123.GAMMA.2, 1-(1-METHYLETHYL)-
Database identifiers
- CAS
60830-80-0- PubChem CID
- 6540489
- UNII
- AA358NU48T
Properties
Computed structural properties
- XLogP
- -4
- Topological polar surface area
- 394 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 21
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,670
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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