4-azanyl-5-[4-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3-(2-azanyl-4-methyl-pentanoyl)-6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-pyrrolidin-2-ylcarbonyl-phenyl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[4-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-3-(2-azanyl-4-methyl-pentanoyl)-6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-2-pyrrolidin-2-ylcarbonyl-phenyl]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[6-(2-amino-3-hydroxy-3-oxo-propyl)-4-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-(2-amino-4-methyl-pentanoyl)-2-(pyrrolidine-2-carbonyl)phenyl]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[6-(2-amino-3-hydroxy-3-oxopropyl)-4-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-3-(2-amino-4-methyl-1-oxopentyl)-2-[oxo(2-pyrrolidinyl)methyl]phenyl]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[6-(2-amino-3-hydroxy-3-oxopropyl)-4-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-(2-amino-4-methylpentanoyl)-2-(pyrrolidine-2-carbonyl)phenyl]-5-oxopentanoic acid Traditional Name: 4-amino-5-[6-(2-amino-3-hydroxy-3-keto-propyl)-3-(2-amino-4-methyl-pentanoyl)-2-prolyl-4-tyrosyl-phenyl]-5-keto-valeric acid Formula: C34H45N5O9 MolecularWeight: 667.7492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1=C(C(=C(C=C1C(=O)C(CC2=CC=C(C=C2)O)N)CC(C(=O)O)N)C(=O)C(CCC(=O)O)N)C(=O)C3CCCN3)N

Isomeric SMILES

CC(C)CC(C(=O)C1=C(C(=C(C=C1C(=O)C(CC2=CC=C(C=C2)O)N)CC(C(=O)O)N)C(=O)C(CCC(=O)O)N)C(=O)C3CCCN3)N

InChI

InChI=1S/C34H45N5O9/c1-16(2)12-22(36)32(45)28-20(30(43)23(37)13-17-5-7-19(40)8-6-17)14-18(15-24(38)34(47)48)27(31(44)21(35)9-10-26(41)42)29(28)33(46)25-4-3-11-39-25/h5-8,14,16,21-25,39-40H,3-4,9-13,15,35-38H2,1-2H3,(H,41,42)(H,47,48)