(phenylmethyl) N-[(2S)-4-azanyl-1-[[(2S,3S)-4-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-[(E)-3-phenylprop-2-enyl]amino]-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-4-azanyl-1-[[(2S,3S)-4-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-[(E)-3-phenylprop-2-enyl]amino]-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-3-amino-1-[[(1S,2S)-1-benzyl-3-[[2-(tert-butylamino)-2-oxo-ethyl]-[(E)-cinnamyl]amino]-2-hydroxy-3-oxo-propyl]carbamoyl]-3-oxo-propyl]carbamate CAS Name: N-[(2S)-4-amino-1-[[(2S,3S)-4-[[2-(tert-butylamino)-2-oxoethyl]-[(E)-3-phenylprop-2-enyl]amino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-4-amino-1-[[(2S,3S)-4-[[2-(tert-butylamino)-2-oxoethyl]-[(E)-3-phenylprop-2-enyl]amino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate Traditional Name: N-[(1S)-3-amino-1-[[(1S,2S)-1-benzyl-3-[[2-(tert-butylamino)-2-keto-ethyl]-[(E)-cinnamyl]amino]-2-hydroxy-3-keto-propyl]carbamoyl]-3-keto-propyl]carbamic acid benzyl ester Formula: C37H45N5O7 MolecularWeight: 671.7825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(CC=CC1=CC=CC=C1)C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)NC(=O)CN(C/C=C/C1=CC=CC=C1)C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C37H45N5O7/c1-37(2,3)41-32(44)24-42(21-13-20-26-14-7-4-8-15-26)35(47)33(45)29(22-27-16-9-5-10-17-27)39-34(46)30(23-31(38)43)40-36(48)49-25-28-18-11-6-12-19-28/h4-20,29-30,33,45H,21-25H2,1-3H3,(H2,38,43)(H,39,46)(H,40,48)(H,41,44)/b20-13+/t29-,30-,33-/m0/s1