Structural Complex
Chemical ID: PRD_002597
IUPAC Name: Microcolin H
Formal Charge: ?
Type: peptide-like
Physiochemical Descriptor:
Formula: C38 H65 N5 O9
Molecular weight: 735.951
Hydrogen Bond Acceptor:
Hydrogen Bond Donor:
Rotatable Bonds:
Heavy Atoms:
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.7 [(2~{R},3~{S})-3-[[(2~{S})-4-methyl-2-[methyl-[(2~{R})-2-methyloctanoyl]amino]pentanoyl]amino]-4-[methyl-[(2~{S})-3-methyl-1-[(2~{S},4~{S})-2-[(2~{S})-2-methyl-5-oxidanylidene-pyrrolidin-1-yl]carbonyl-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butan-2-yl] ethanoate
Chemical Descriptors
Type Program Version Descriptor
SMILES_CANONICAL CACTVS 3.385 CCCCCC[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)OC(C)=O)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N2[C@@H](C)CCC2=O
SMILES CACTVS 3.385 CCCCCC[CH](C)C(=O)N(C)[CH](CC(C)C)C(=O)N[CH]([CH](C)OC(C)=O)C(=O)N(C)[CH](C(C)C)C(=O)N1C[CH](O)C[CH]1C(=O)N2[CH](C)CCC2=O
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 CCCCCC[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)OC(=O)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C[C@H](C[C@H]1C(=O)N2[C@H](CCC2=O)C)O
SMILES OpenEye OEToolkits 2.0.7 CCCCCCC(C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(C)OC(=O)C)C(=O)N(C)C(C(C)C)C(=O)N1CC(CC1C(=O)N2C(CCC2=O)C)O
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