31-33
AlkaPlorer ID: AK012822
Synonym: '', 'Oscillapeptin C'
IUPAC Name: (2R)-N-[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-2,8-bis[(2S)-butan-2-yl]-15-[[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]methyl]-21-methoxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-3-hydroxy-2-methoxypropanoyl]amino]-4-(4-hydroxyphenyl)butanamide
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2OC)N=C(O)[C@H](C[C@H]2C=C[C@H](O)CC2)N=C(O)[C@@H](N=C(O)[C@@H](CCC2=CC=C(O)C=C2)N=C(O)[C@@H](CO)OC)[C@@H](C)OC1=O
InChI: InChI=1S/C55H79N7O14/c1-9-31(3)45-55(73)76-33(5)46(60-48(66)39(56-51(69)43(30-63)74-7)25-20-34-16-21-37(64)22-17-34)52(70)58-41(28-36-18-23-38(65)24-19-36)49(67)57-40-26-27-44(75-8)62(53(40)71)47(32(4)10-2)54(72)61(6)42(50(68)59-45)29-35-14-12-11-13-15-35/h11-18,21-23,31-33,36,38-47,63-65H,9-10,19-20,24-30H2,1-8H3,(H,56,69)(H,57,67)(H,58,70)(H,59,68)(H,60,66)/t31-,32-,33+,36-,38-,39+,40-,41-,42-,43+,44+,45-,46-,47-/m0/s1
InChIKey: JUQKYMGTTRNQNE-KCGDPEDASA-N
Reference
Oscillapeptins A to F, serine protease inhibitors from the three strains of Oscillatoria agardhii
PubChem CID: 163016621
LOTUS: LTS0194949
SuperNatural Ⅲ: SN0175734-05
NPASS: NPC91367
Source
Properties Information
Molecule Weight: 1062.272
TPSA？: 309.02
MolLogP？: 5.74550000000001
Number of H-Donors: 8
Number of H-Acceptors: 14
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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