(2S)-2-[(2S)-2-{2-[(2S)-2-{[(2S)-1-{2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-3-hydroxypropanamido]acetyl}pyrrolidin-2-yl]formamido}propanamido]acetamido}-3-methylbutanamido]-4-methylpentanoic acid
AlkaPlorer ID: AK468341
Synonym: None
IUPAC Name: 2-[[2-[[2-[2-[[1-[2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoylamino]acetyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
Structure
SMILES: CC(C)CC(N=C(O)C(N=C(O)CN=C(O)C(C)N=C(O)C1CCCN1C(=O)CN=C(O)C(CO)N=C(O)C(CC(=O)O)N=C(O)C(N)CC1=CC=CC=C1)C(C)C)C(=O)O
InChI: InChI=1S/C39H59N9O13/c1-20(2)14-26(39(60)61)45-38(59)32(21(3)4)47-29(50)17-41-33(54)22(5)43-37(58)28-12-9-13-48(28)30(51)18-42-35(56)27(19-49)46-36(57)25(16-31(52)53)44-34(55)24(40)15-23-10-7-6-8-11-23/h6-8,10-11,20-22,24-28,32,49H,9,12-19,40H2,1-5H3,(H,41,54)(H,42,56)(H,43,58)(H,44,55)(H,45,59)(H,46,57)(H,47,50)(H,52,53)(H,60,61)
InChIKey: NMDJMXYSIJPZRF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dosidicus gigas | Dosidicus | Ommastrephidae | Oegopsida | Cephalopoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 861.9510000000001
TPSA？: 369.29
MolLogP？: 2.3595000000000104
Number of H-Donors: 11
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|