Cyclo-cadagac

HCID 3083373

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 143084-70-2
Standard SMILES: CC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N(C(=O)[C@H](CC(=O)O)NC(=O)C=NC(=O)[C@@H](N)CC1=CC(C)(C)C(N)(C(=O)C2NCCS2)C=C1)[C@@H](C=S)C(=O)O
InChIKey: UDZHUQMVVWWJPN-MMPMNOHVSA-N
Molecular formula: C33H45N9O12S3
Average molar mass: 856 g/mol
Monoisotopic mass: 855.23498143

Names & identifiers

Preferred name: Cyclo-cadagac
IUPAC: (3S)-4-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-4-amino-4-oxobutanoyl]-[(1R)-1-carboxy-2-sulfanylideneethyl]amino]-3-[[2-[(2S)-2-amino-3-[4-amino-3,3-dimethyl-4-(1,3-thiazolidine-2-carbonyl)cyclohexa-1,5-dien-1-yl]propanoyl]iminoacetyl]amino]-4-oxobutanoic acid
English name: cyclo(N-acetylcysteinyl-asparaginyl-dimethylthioprolyl-(4-aminomethyl)phenylalanyl-glycyl-aspartyl-cysteine)
Molecular formula: C33H45N9O12S3
Molecular weight: 855.9585

Names & synonyms

Cyclo-cadagac143084-70-2Cyclo(accys-asn-dtc-amf-gly-asp-cysoh)(3S)-4-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-4-amino-4-oxobutanoyl]-[(1R)-1-carboxy-2-sulfanylideneethyl]amino]-3-[[2-[(2S)-2-amino-3-[4-amino-3,3-dimethyl-4-(1,3-thiazolidine-2-carbonyl)cyclohexa-1,5-dien-1-yl]propanoyl]iminoacetyl]amino]-4-oxobutanoic acidCyclo(N-acetylcysteinyl-asparaginyl-dimethylthioprolyl-(4-aminomethyl)phenylalanyl-glycyl-aspartyl-cysteine)Cyclo(N-acetylcysteinyl-asparaginyl-(beta,beta-dimethyl)thioprolyl-(p-aminomethyl)phenylalanyl-glycyl-aspartyl-cysteine)N-Acetyl-L-cysteinyl-L-asparaginyl-5,5-dimethyl-D-4-thiazolidinecarbonyl-4-amino-L-phenylanylglycyl-L-alpha-aspartyl-L-cysteine cyclic(1-7)-disulfideL-Cysteine, N-acetyl-L-cysteinyl-L-asparaginyl-5,5-dimethyl-D-4-thiazolidinecarbonyl-4-amino-L-phenylanylglycyl-L-alpha-aspartyl-, cyclic(1-7)-disulfideCyclocadagacCyclo cadagac

Database identifiers

CAS

Properties

Computed structural properties

XLogP: -8.1
Topological polar surface area: 411 Å²
Hydrogen bond donors: 10
Hydrogen bond acceptors: 18
Rotatable bonds: 20
Heavy atoms: 57
Formal charge: 0
Complexity: 1,770

Chemistry & industry

Suppliers2 total

TargetMol中国（陶术生物）15002134094 · [email protected]

上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…