tert-butyl (2S)-2-[[2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-[[2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[[2-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[[(2S)-2-formamido-4-(methylthio)-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[[(2S)-2-formamido-4-(methylthio)butanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C25H39N3O5S MolecularWeight: 493.65926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)C(CCSC)NC=O

Isomeric SMILES

CCC(C)C(C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)[C@H](CCSC)NC=O

InChI

InChI=1S/C25H39N3O5S/c1-7-17(2)21(28-22(30)19(26-16-29)13-14-34-6)23(31)27-20(24(32)33-25(3,4)5)15-18-11-9-8-10-12-18/h8-12,16-17,19-21H,7,13-15H2,1-6H3,(H,26,29)(H,27,31)(H,28,30)/t17?,19-,20-,21?/m0/s1