2-(2-{2-[2-(2-{2-[2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido}-3-methylbutanamido)acetamido]-3-carboxypropanamido}-3-methylbutanamido)-4-carbamoylbutanoic acid
AlkaPlorer ID: AK588826
Synonym: None
IUPAC Name: (2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
Structure
SMILES: CC(C)[C@H](N=C(O)[C@H](CC(=O)O)N=C(O)CN=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@@H](N)CC1=CNC2=CC=CC=C12)C(C)C)C(C)C)C(O)=N[C@@H](CCC(=N)O)C(=O)O
InChI: InChI=1S/C37H55N9O11/c1-17(2)29(46-36(55)31(19(5)6)44-32(51)22(38)13-20-15-40-23-10-8-7-9-21(20)23)34(53)41-16-27(48)42-25(14-28(49)50)33(52)45-30(18(3)4)35(54)43-24(37(56)57)11-12-26(39)47/h7-10,15,17-19,22,24-25,29-31,40H,11-14,16,38H2,1-6H3,(H2,39,47)(H,41,53)(H,42,48)(H,43,54)(H,44,51)(H,45,52)(H,46,55)(H,49,50)(H,56,57)/t22-,24-,25-,29-,30-,31-/m0/s1
InChIKey: ZBQDIXOQUWQYLW-HXUSDEEESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Perinereis vancaurica | Perinereis | Nereididae | Phyllodocida | Polychaeta | Annelida | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 801.899
TPSA？: 356.03000000000003
MolLogP？: 4.462470000000007
Number of H-Donors: 12
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|