2-methylpropane; [6-[2-[6-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]hexanoyl-(phenylmethyl)amino]propanoyl-(phenylmethyl)amino]-6-oxidanylidene-hexyl]-(phenylmethyl)carbamic acid

Systemtic Name: 2-methylpropane; [6-[2-[6-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]hexanoyl-(phenylmethyl)amino]propanoyl-(phenylmethyl)amino]-6-oxidanylidene-hexyl]-(phenylmethyl)carbamic acid Openeye Name: benzyl-[6-[benzyl-[2-[benzyl-[6-[benzyl(tert-butoxycarbonyl)amino]hexanoyl]amino]propanoyl]amino]-6-oxo-hexyl]carbamic acid; isobutane CAS Name: 2-methylpropane; [6-[[2-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]-1-oxohexyl]-(phenylmethyl)amino]-1-oxopropyl]-(phenylmethyl)amino]-6-oxohexyl]-(phenylmethyl)carbamic acid IUPAC Name: benzyl-[6-[benzyl-[2-[benzyl-[6-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoyl]amino]propanoyl]amino]-6-oxohexyl]carbamic acid; 2-methylpropane Traditional Name: benzyl-[6-[benzyl-[2-[benzyl-[6-[benzyl(tert-butoxycarbonyl)amino]hexanoyl]amino]propanoyl]amino]-6-keto-hexyl]carbamic acid; isobutane Formula: C53H72N4O7 MolecularWeight: 877.16138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C.CC(C(=O)N(CC1=CC=CC=C1)C(=O)CCCCCN(CC2=CC=CC=C2)C(=O)O)N(CC3=CC=CC=C3)C(=O)CCCCCN(CC4=CC=CC=C4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C.CC(C(=O)N(CC1=CC=CC=C1)C(=O)CCCCCN(CC2=CC=CC=C2)C(=O)O)N(CC3=CC=CC=C3)C(=O)CCCCCN(CC4=CC=CC=C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C49H62N4O7.C4H10/c1-39(46(56)53(38-43-29-17-8-18-30-43)45(55)32-20-9-21-33-50(47(57)58)35-40-23-11-5-12-24-40)52(37-42-27-15-7-16-28-42)44(54)31-19-10-22-34-51(48(59)60-49(2,3)4)36-41-25-13-6-14-26-41;1-4(2)3/h5-8,11-18,23-30,39H,9-10,19-22,31-38H2,1-4H3,(H,57,58);4H,1-3H3