FJ120DPB
AlkaPlorer ID: AK122752
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-phenylpropanoyl]amino]propanoic acid
Structure
SMILES: CC(O)=N[C@H](C(O)=N[C@@H](C(=O)N1CCC[C@H]1C(O)=N[C@@H](CC1=CC=C(O)C=C1)C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(O)=N[C@@H](C)C(=O)O)C(C)C)[C@@H](C)O
InChI: InChI=1S/C38H52N6O10/c1-21(2)31(42-35(50)32(23(4)45)40-24(5)46)37(52)44-18-10-13-29(44)33(48)41-28(19-26-14-16-27(47)17-15-26)36(51)43(6)30(20-25-11-8-7-9-12-25)34(49)39-22(3)38(53)54/h7-9,11-12,14-17,21-23,28-32,45,47H,10,13,18-20H2,1-6H3,(H,39,49)(H,40,46)(H,41,48)(H,42,50)(H,53,54)/t22-,23+,28-,29-,30-,31+,32-/m0/s1
InChIKey: ACUOSWBPCVKELZ-SDUBJODWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus ochraceopetaliformis | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 752.8660000000002
TPSA？: 248.73999999999995
MolLogP？: 3.457000000000004
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|