3-(4-hydroxyphenyl)-2-[[3-(1H-indol-3-yl)-2-phenylmethoxycarbonylamino-propanoyl]amino]propanoic acid

HCID 333319

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Basic information

CAS: 20762-34-9
Standard SMILES: O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)OCc1ccccc1
InChIKey: SMLAYVNSQQMPHO-UHFFFAOYSA-N
Molecular formula: C28H27N3O6
Average molar mass: 501.5 g/mol
Monoisotopic mass: 501.18998559

Names & identifiers

Preferred name: 3-(4-hydroxyphenyl)-2-[[3-(1H-indol-3-yl)-2-phenylmethoxycarbonylamino-propanoyl]amino]propanoic acid
IUPAC: 3-(4-hydroxyphenyl)-2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid

Names & synonyms

20762-34-92-(2-(((Benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanamido)-3-(4-hydroxyphenyl)propanoic acid2-(2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanamido)-3-(4-hydroxyphenyl)propanoic acidNSC3337373-(4-hydroxyphenyl)-2-[[3-(1H-indol-3-yl)-2-phenylmethoxycarbonylamino-propanoyl]amino]propanoic acidDTXSID30318665NSC-333737N-[(Benzyloxy)carbonyl]tryptophyltyrosineDS-013845

Database identifiers

CAS: 20762-34-9
PubChem CID: 333319
DTXSID: DTXSID30318665

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 141 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 6
Rotatable bonds: 11
Heavy atoms: 37
Formal charge: 0
Complexity: 765

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