methyl (2S)-2-[[(2S)-4-methyl-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-4-methyl-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2R)-2-(tert-butoxycarbonylamino)butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-4-methyl-2-[[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-1-oxopentyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-4-methyl-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2R)-2-(tert-butoxycarbonylamino)butanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H39N3O6 MolecularWeight: 477.59366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N3O6/c1-8-18(28-24(32)34-25(4,5)6)21(29)26-19(14-16(2)3)22(30)27-20(23(31)33-7)15-17-12-10-9-11-13-17/h9-13,16,18-20H,8,14-15H2,1-7H3,(H,26,29)(H,27,30)(H,28,32)/t18-,19+,20+/m1/s1