2,6-bis(azanyl)-3-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-2-(2-azanyl-4-methylsulfanyl-butanoyl)-3-methyl-7-oxidanyl-5-oxidanylidene-4-pyrrolidin-2-ylcarbonyl-heptanoic acid

Systemtic Name: 2,6-bis(azanyl)-3-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-2-(2-azanyl-4-methylsulfanyl-butanoyl)-3-methyl-7-oxidanyl-5-oxidanylidene-4-pyrrolidin-2-ylcarbonyl-heptanoic acid Openeye Name: 2,6-diamino-3-[2-amino-3-(4-hydroxyphenyl)propanoyl]-2-(2-amino-4-methylsulfanyl-butanoyl)-7-hydroxy-3-methyl-5-oxo-4-(pyrrolidine-2-carbonyl)heptanoic acid CAS Name: 2,6-diamino-3-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-[2-amino-4-(methylthio)-1-oxobutyl]-7-hydroxy-3-methyl-5-oxo-4-[oxo(2-pyrrolidinyl)methyl]heptanoic acid IUPAC Name: 2,6-diamino-3-[2-amino-3-(4-hydroxyphenyl)propanoyl]-2-(2-amino-4-methylsulfanylbutanoyl)-7-hydroxy-3-methyl-5-oxo-4-(pyrrolidine-2-carbonyl)heptanoic acid Traditional Name: 2,6-diamino-2-[2-amino-4-(methylthio)butanoyl]-7-hydroxy-5-keto-3-methyl-4-prolyl-3-tyrosyl-enanthic acid Formula: C27H41N5O8S MolecularWeight: 595.70814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1CCCN1)C(=O)C(CO)N)(C(=O)C(CC2=CC=C(C=C2)O)N)C(C(=O)C(CCSC)N)(C(=O)O)N

Isomeric SMILES

CC(C(C(=O)C1CCCN1)C(=O)C(CO)N)(C(=O)C(CC2=CC=C(C=C2)O)N)C(C(=O)C(CCSC)N)(C(=O)O)N

InChI

InChI=1S/C27H41N5O8S/c1-26(23(37)17(29)12-14-5-7-15(34)8-6-14,27(31,25(39)40)24(38)16(28)9-11-41-2)20(21(35)18(30)13-33)22(36)19-4-3-10-32-19/h5-8,16-20,32-34H,3-4,9-13,28-31H2,1-2H3,(H,39,40)