2-acetamido-2,3-bis[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-5-[(2-azanyl-3-oxidanyl-butanoyl)amino]-6-methyl-4-oxidanylidene-heptanoic acid

Systemtic Name: 2-acetamido-2,3-bis[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-5-[(2-azanyl-3-oxidanyl-butanoyl)amino]-6-methyl-4-oxidanylidene-heptanoic acid Openeye Name: 2-acetamido-5-[(2-amino-3-hydroxy-butanoyl)amino]-2,3-bis[2-amino-3-(4-hydroxyphenyl)propanoyl]-6-methyl-4-oxo-heptanoic acid CAS Name: 2-acetamido-5-[(2-amino-3-hydroxy-1-oxobutyl)amino]-2,3-bis[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-6-methyl-4-oxoheptanoic acid IUPAC Name: 2-acetamido-5-[(2-amino-3-hydroxybutanoyl)amino]-2,3-bis[2-amino-3-(4-hydroxyphenyl)propanoyl]-6-methyl-4-oxoheptanoic acid Traditional Name: 2-acetamido-5-[(2-amino-3-hydroxy-butanoyl)amino]-4-keto-6-methyl-2,3-dityrosyl-enanthic acid Formula: C32H43N5O10 MolecularWeight: 657.71132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(C(=O)C(CC1=CC=C(C=C1)O)N)C(C(=O)C(CC2=CC=C(C=C2)O)N)(C(=O)O)NC(=O)C)NC(=O)C(C(C)O)N

Isomeric SMILES

CC(C)C(C(=O)C(C(=O)C(CC1=CC=C(C=C1)O)N)C(C(=O)C(CC2=CC=C(C=C2)O)N)(C(=O)O)NC(=O)C)NC(=O)C(C(C)O)N

InChI

InChI=1S/C32H43N5O10/c1-15(2)26(36-30(45)25(35)16(3)38)28(43)24(27(42)22(33)13-18-5-9-20(40)10-6-18)32(31(46)47,37-17(4)39)29(44)23(34)14-19-7-11-21(41)12-8-19/h5-12,15-16,22-26,38,40-41H,13-14,33-35H2,1-4H3,(H,36,45)(H,37,39)(H,46,47)