(4S)-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]-3-oxidanyl-heptanoic acid

Systemtic Name: (4S)-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]-3-oxidanyl-heptanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-6-methyl-heptanoic acid CAS Name: (4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]heptanoic acid IUPAC Name: (4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]heptanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-6-methyl-enanthic acid Formula: C25H47N3O7 MolecularWeight: 501.65658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H47N3O7/c1-10-15(5)20(22(32)26-17(12-14(3)4)18(29)13-19(30)31)27-23(33)21(16(6)11-2)28-24(34)35-25(7,8)9/h14-18,20-21,29H,10-13H2,1-9H3,(H,26,32)(H,27,33)(H,28,34)(H,30,31)/t15?,16?,17-,18?,20-,21-/m0/s1