(4S)-4-(2-{[(2R)-1-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2R)-1-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetyl}pyrrolidin-2-yl]formamido}-4-methylpentanamido]-4-carbamoylbutanamido]propanamido]acetamido}-4-carbamoylbutanoyl]pyrrolidin-2-yl]formamido}acetam
AlkaPlorer ID: AK388728
Synonym: None
IUPAC Name: 4-[[2-[[1-[5-amino-2-[[2-[2-[[5-amino-2-[[2-[[1-[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoylamino]acetyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-[[1-carboxy-4-(diaminomethylideneamino)butyl]amino]-5-oxopentanoic acid
Structure
SMILES: CC(C)CC(N=C(O)C1CCCN1C(=O)CN=C(O)C(N)CC(=N)O)C(O)=NC(CCC(=N)O)C(O)=NC(C)C(O)=NCC(O)=NC(CCC(=N)O)C(=O)N1CCCC1C(O)=NCC(O)=NC(CCC(=O)O)C(O)=NC(CCCNC(=N)N)C(=O)O
InChI: InChI=1S/C50H82N18O18/c1-24(2)19-31(66-47(83)33-9-5-17-67(33)39(74)23-60-42(78)26(51)20-36(54)71)45(81)64-28(10-13-34(52)69)43(79)61-25(3)41(77)58-21-38(73)63-29(11-14-35(53)70)48(84)68-18-6-8-32(68)46(82)59-22-37(72)62-27(12-15-40(75)76)44(80)65-30(49(85)86)7-4-16-57-50(55)56/h24-33H,4-23,51H2,1-3H3,(H2,52,69)(H2,53,70)(H2,54,71)(H,58,77)(H,59,82)(H,60,78)(H,61,79)(H,62,72)(H,63,73)(H,64,81)(H,65,80)(H,66,83)(H,75,76)(H,85,86)(H4,55,56,57)
InChIKey: GJRNDKUPKZCKJJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dosidicus gigas | Dosidicus | Ommastrephidae | Oegopsida | Cephalopoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1223.314
TPSA？: 628.6900000000002
MolLogP？: 1.950779999999996
Number of H-Donors: 21
Number of H-Acceptors: 18
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|