(phenylmethyl) N-[(2S)-1-[[(2S)-4-azanyl-1-[[(2S,3R)-4-[(2S)-2-[[(2S,3S)-3-methyl-1-(2-methylpropylamino)-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[[(2S)-4-azanyl-1-[[(2S,3R)-4-[(2S)-2-[[(2S,3S)-3-methyl-1-(2-methylpropylamino)-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[(1S)-3-amino-1-[[(1S,2R)-1-benzyl-2-hydroxy-3-[(2S)-2-[[(1S,2S)-1-(isobutylcarbamoyl)-2-methyl-butyl]carbamoyl]pyrrolidin-1-yl]propyl]carbamoyl]-3-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-3-hydroxy-4-[(2S)-2-[[[(2S,3S)-3-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-3-hydroxy-4-[(2S)-2-[[(2S,3S)-3-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S)-3-amino-1-[[(1S,2R)-1-benzyl-2-hydroxy-3-[(2S)-2-[[(1S,2S)-1-(isobutylcarbamoyl)-2-methyl-butyl]carbamoyl]pyrrolidino]propyl]carbamoyl]-3-keto-propyl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C43H65N7O8 MolecularWeight: 808.0183

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(C)C)NC(=O)C1CCCN1CC(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CCCN1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C43H65N7O8/c1-7-29(6)38(42(56)45-24-28(4)5)49-41(55)35-19-14-20-50(35)25-36(51)32(22-30-15-10-8-11-16-30)46-40(54)34(23-37(44)52)47-39(53)33(21-27(2)3)48-43(57)58-26-31-17-12-9-13-18-31/h8-13,15-18,27-29,32-36,38,51H,7,14,19-26H2,1-6H3,(H2,44,52)(H,45,56)(H,46,54)(H,47,53)(H,48,57)(H,49,55)/t29-,32-,33-,34-,35-,36+,38-/m0/s1