2-[6-amino-2-(2-{2-[2-(2-{2-[2-(2-{2-[2-(2-aminoacetamido)-4-methylpentanamido]-4-methylpentanamido}-3-hydroxypropanamido)-3-methylbutanamido]-4-methylpentanamido}acetamido)-3-hydroxypropanamido]-3-methylbutanamido}propanamido)hexanamido]-3-(1H-imidazol-4-yl)propanoic acid
AlkaPlorer ID: AK214508
Synonym: None
IUPAC Name: 2-[[6-amino-2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Structure
SMILES: CC(C)CC(N=C(O)CN)C(O)=NC(CC(C)C)C(O)=NC(CO)C(O)=NC(C(O)=NC(CC(C)C)C(O)=NCC(O)=NC(CO)C(O)=NC(C(O)=NC(C)C(O)=NC(CCCCN)C(O)=NC(CC1=CN=CN1)C(=O)O)C(C)C)C(C)C
InChI: InChI=1S/C53H93N15O15/c1-26(2)16-34(64-52(81)43(30(9)10)68-50(79)39(24-70)66-48(77)36(18-28(5)6)63-47(76)35(17-27(3)4)60-40(71)20-55)45(74)57-22-41(72)61-38(23-69)49(78)67-42(29(7)8)51(80)59-31(11)44(73)62-33(14-12-13-15-54)46(75)65-37(53(82)83)19-32-21-56-25-58-32/h21,25-31,33-39,42-43,69-70H,12-20,22-24,54-55H2,1-11H3,(H,56,58)(H,57,74)(H,59,80)(H,60,71)(H,61,72)(H,62,73)(H,63,76)(H,64,81)(H,65,75)(H,66,77)(H,67,78)(H,68,79)(H,82,83)
InChIKey: GWXFAVDMWVWACV-UHFFFAOYSA-N
Reference
Peptides from australian frogs. Structures of the caeridins from Litoria caerulea
PubChem CID: 162961357
LOTUS: LTS0145920
COCONUT: CNP0232528
Source
Properties Information
Molecule Weight: 1180.416999999999
TPSA？: 516.9700000000001
MolLogP？: 4.786800000000013
Number of H-Donors: 17
Number of H-Acceptors: 17
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|