(2S)-3-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]pentanoyl]amino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]pentanoyl]amino]butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2R)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[[(2S)-1-[(2R)-2-[[(2R)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopentyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]butanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2R)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]prolyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butyric acid Formula: C45H66N6O9 MolecularWeight: 835.04034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C45H66N6O9/c1-27(2)23-32(40(54)50-37(29(5)6)43(57)58)46-39(53)34(25-30-17-12-10-13-18-30)47-41(55)36-21-16-22-51(36)42(56)35(26-31-19-14-11-15-20-31)48-38(52)33(24-28(3)4)49-44(59)60-45(7,8)9/h10-15,17-20,27-29,32-37H,16,21-26H2,1-9H3,(H,46,53)(H,47,55)(H,48,52)(H,49,59)(H,50,54)(H,57,58)/t32-,33+,34-,35+,36-,37-/m0/s1