(2S)-N-tert-butyl-1-[(2S,4R)-2-oxidanyl-5-[[(2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-4-(phenylmethyl)pentyl]-4-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperazine-2-carboxamide

Systemtic Name: (2S)-N-tert-butyl-1-[(2S,4R)-2-oxidanyl-5-[[(2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]amino]-5-oxidanylidene-4-(phenylmethyl)pentyl]-4-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperazine-2-carboxamide Openeye Name: (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(2R)-2-hydroxyindan-1-yl]amino]-5-oxo-pentyl]-N-tert-butyl-4-[(5-phenylthiazol-2-yl)methyl]piperazine-2-carboxamide CAS Name: (2S)-N-tert-butyl-1-[(2S,4R)-2-hydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxo-4-(phenylmethyl)pentyl]-4-[(5-phenyl-2-thiazolyl)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperazine-2-carboxamide Traditional Name: (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(2R)-2-hydroxyindan-1-yl]amino]-5-keto-pentyl]-N-tert-butyl-4-[(5-phenylthiazol-2-yl)methyl]piperazine-2-carboxamide Formula: C40H49N5O4S MolecularWeight: 695.91316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CN(CCN1CC(CC(CC2=CC=CC=C2)C(=O)NC3C(CC4=CC=CC=C34)O)O)CC5=NC=C(S5)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)NC3[C@@H](CC4=CC=CC=C34)O)O)CC5=NC=C(S5)C6=CC=CC=C6

InChI

InChI=1S/C40H49N5O4S/c1-40(2,3)43-39(49)33-25-44(26-36-41-23-35(50-36)28-14-8-5-9-15-28)18-19-45(33)24-31(46)21-30(20-27-12-6-4-7-13-27)38(48)42-37-32-17-11-10-16-29(32)22-34(37)47/h4-17,23,30-31,33-34,37,46-47H,18-22,24-26H2,1-3H3,(H,42,48)(H,43,49)/t30-,31+,33+,34-,37?/m1/s1