(phenylmethyl) N-[(2S)-4-azanyl-1-[[(2S,3S)-4-[(4R)-4-(tert-butylcarbamoyl)-1,3-thiazolidin-3-yl]-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-[(4R)-4-(tert-butylcarbamoyl)-1,3-thiazolidin-3-yl]-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-[(4R)-4-(tert-butylcarbamoyl)thiazolidin-3-yl]-2-hydroxy-3-oxo-propyl]carbamoyl]-3-oxo-propyl]carbamate CAS Name: N-[(2S)-4-amino-1-[[(2S,3S)-4-[(4R)-4-[(tert-butylamino)-oxomethyl]-3-thiazolidinyl]-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-[(4R)-4-(tert-butylcarbamoyl)-1,3-thiazolidin-3-yl]-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-[(4R)-4-(tert-butylcarbamoyl)thiazolidin-3-yl]-2-hydroxy-3-keto-propyl]carbamoyl]-3-keto-propyl]carbamic acid benzyl ester Formula: C30H39N5O7S MolecularWeight: 613.72496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CSCN1C(=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)[C@@H]1CSCN1C(=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/C30H39N5O7S/c1-30(2,3)34-27(39)23-17-43-18-35(23)28(40)25(37)21(14-19-10-6-4-7-11-19)32-26(38)22(15-24(31)36)33-29(41)42-16-20-12-8-5-9-13-20/h4-13,21-23,25,37H,14-18H2,1-3H3,(H2,31,36)(H,32,38)(H,33,41)(H,34,39)/t21-,22-,23-,25-/m0/s1