2-azanyl-3-[1-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-phenyl-propanoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1-(2-azanyl-3-methyl-butanoyl)-2-(2-azanyl-3-phenyl-propanoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[1-(2-amino-3-methyl-butanoyl)-2-(2-amino-3-phenyl-propanoyl)-4-tert-butoxycarbonyl-indol-3-yl]propanoic acid CAS Name: 2-amino-3-[1-(2-amino-3-methyl-1-oxobutyl)-2-(2-amino-1-oxo-3-phenylpropyl)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indolyl]propanoic acid IUPAC Name: 2-amino-3-[1-(2-amino-3-methylbutanoyl)-2-(2-amino-3-phenylpropanoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[1-(2-amino-3-methyl-butanoyl)-4-tert-butoxycarbonyl-2-phenylalanyl-indol-3-yl]propionic acid Formula: C30H38N4O6 MolecularWeight: 550.64592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C2=CC=CC(=C2C(=C1C(=O)C(CC3=CC=CC=C3)N)CC(C(=O)O)N)C(=O)OC(C)(C)C)N

Isomeric SMILES

CC(C)C(C(=O)N1C2=CC=CC(=C2C(=C1C(=O)C(CC3=CC=CC=C3)N)CC(C(=O)O)N)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C30H38N4O6/c1-16(2)24(33)27(36)34-22-13-9-12-18(29(39)40-30(3,4)5)23(22)19(15-21(32)28(37)38)25(34)26(35)20(31)14-17-10-7-6-8-11-17/h6-13,16,20-21,24H,14-15,31-33H2,1-5H3,(H,37,38)