Nazumamide A
AlkaPlorer ID: AK000567
Synonym: None
IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[(2,5-dihydroxybenzoyl)amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]butanoic acid
Structure
SMILES: CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)C1=CC(O)=CC=C1O)[C@@H](C)CC)C(=O)O
InChI: InChI=1S/C28H43N7O8/c1-4-15(3)22(25(40)32-18(5-2)27(42)43)34-24(39)20-9-7-13-35(20)26(41)19(8-6-12-31-28(29)30)33-23(38)17-14-16(36)10-11-21(17)37/h10-11,14-15,18-20,22,36-37H,4-9,12-13H2,1-3H3,(H,32,40)(H,33,38)(H,34,39)(H,42,43)(H4,29,30,31)/t15-,18-,19-,20-,22-/m0/s1
InChIKey: WNCIWSMKRPFIJY-BTAJCFKJSA-N
Reference
An environmental bacterial taxon with a large and distinct metabolic repertoire
PubChem CID: 10008817
SuperNatural Ⅲ: SN0414686-02
{NPAtlas: NPA028602
Source
Properties Information
Molecule Weight: 605.6930000000002
TPSA？: 249.76999999999995
MolLogP？: -0.2488999999999946
Number of H-Donors: 8
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Thrombin | IC50 | 53000.0 | nM | 10.1016/s0960-894x(98)00281-9 |
| Homo sapiens | Thrombin | IC50 | 72000.0 | nM | 10.1016/s0960-894x(98)00281-9 |
| Homo sapiens | Thrombin | IC50 | 1606000.0 | nM | 10.1016/s0960-894x(98)00281-9 |