3-azanyl-4-(2-azanylpropanoyl)-6-[2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-pentanoyl]-5-phenyl-oxan-2-one

Systemtic Name: 3-azanyl-4-(2-azanylpropanoyl)-6-[2-[(2-azanyl-3-sulfanyl-propyl)amino]-3-methyl-pentanoyl]-5-phenyl-oxan-2-one Openeye Name: 3-amino-4-(2-aminopropanoyl)-6-[2-[(2-amino-3-sulfanyl-propyl)amino]-3-methyl-pentanoyl]-5-phenyl-tetrahydropyran-2-one CAS Name: 3-amino-6-[2-[(2-amino-3-mercaptopropyl)amino]-3-methyl-1-oxopentyl]-4-(2-amino-1-oxopropyl)-5-phenyl-2-oxanone IUPAC Name: 3-amino-4-(2-aminopropanoyl)-6-[2-[(2-amino-3-sulfanylpropyl)amino]-3-methylpentanoyl]-5-phenyloxan-2-one Traditional Name: 4-alanyl-3-amino-6-[2-[(2-amino-3-mercapto-propyl)amino]-3-methyl-pentanoyl]-5-phenyl-tetrahydropyran-2-one Formula: C23H36N4O4S MolecularWeight: 464.62134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C1C(C(C(C(=O)O1)N)C(=O)C(C)N)C2=CC=CC=C2)NCC(CS)N

Isomeric SMILES

CCC(C)C(C(=O)C1C(C(C(C(=O)O1)N)C(=O)C(C)N)C2=CC=CC=C2)NCC(CS)N

InChI

InChI=1S/C23H36N4O4S/c1-4-12(2)19(27-10-15(25)11-32)21(29)22-16(14-8-6-5-7-9-14)17(20(28)13(3)24)18(26)23(30)31-22/h5-9,12-13,15-19,22,27,32H,4,10-11,24-26H2,1-3H3