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

Systemtic Name: methyl (2R)-2-[[(2S)-3-methyl-2-[[(2R)-4-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[(2S)-3-methyl-2-[[(2R)-4-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-3-methyl-2-[[(2R)-4-methyl-2-[[(2R)-4-methyl-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C38H63N5O8 MolecularWeight: 717.93552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H63N5O8/c1-22(2)18-27(39-33(45)29(20-24(5)6)42-37(49)51-38(9,10)11)32(44)40-28(19-23(3)4)34(46)43-31(25(7)8)35(47)41-30(36(48)50-12)21-26-16-14-13-15-17-26/h13-17,22-25,27-31H,18-21H2,1-12H3,(H,39,45)(H,40,44)(H,41,47)(H,42,49)(H,43,46)/t27-,28-,29+,30-,31+/m1/s1