(2R)-N-[2-[[(2S)-4-(1,3-benzodioxol-5-ylmethylamino)-1-cyclohexyl-3,4-bis(oxidanylidene)butan-2-yl]amino]-2-oxidanylidene-ethyl]-5-[bis(azanyl)methylideneamino]-N-methyl-2-(phenylsulfonylamino)pentanamide

Systemtic Name: (2R)-N-[2-[[(2S)-4-(1,3-benzodioxol-5-ylmethylamino)-1-cyclohexyl-3,4-bis(oxidanylidene)butan-2-yl]amino]-2-oxidanylidene-ethyl]-5-[bis(azanyl)methylideneamino]-N-methyl-2-(phenylsulfonylamino)pentanamide Openeye Name: (2R)-2-(benzenesulfonamido)-N-[2-[[(1S)-3-(1,3-benzodioxol-5-ylmethylamino)-1-(cyclohexylmethyl)-2,3-dioxo-propyl]amino]-2-oxo-ethyl]-5-guanidino-N-methyl-pentanamide CAS Name: (2R)-2-(benzenesulfonamido)-N-[2-[[(2S)-4-(1,3-benzodioxol-5-ylmethylamino)-1-cyclohexyl-3,4-dioxobutan-2-yl]amino]-2-oxoethyl]-5-(diaminomethylideneamino)-N-methylpentanamide IUPAC Name: (2R)-2-(benzenesulfonamido)-N-[2-[[(2S)-4-(1,3-benzodioxol-5-ylmethylamino)-1-cyclohexyl-3,4-dioxobutan-2-yl]amino]-2-oxoethyl]-5-(diaminomethylideneamino)-N-methylpentanamide Traditional Name: (2R)-2-(benzenesulfonamido)-N-[2-[[(1S)-1-(cyclohexylmethyl)-2,3-diketo-3-(piperonylamino)propyl]amino]-2-keto-ethyl]-5-guanidino-N-methyl-valeramide Formula: C33H45N7O8S MolecularWeight: 699.8175

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC(CC1CCCCC1)C(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN(CC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)[C@@H](CCCN=C(N)N)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C33H45N7O8S/c1-40(32(44)25(13-8-16-36-33(34)35)39-49(45,46)24-11-6-3-7-12-24)20-29(41)38-26(17-22-9-4-2-5-10-22)30(42)31(43)37-19-23-14-15-27-28(18-23)48-21-47-27/h3,6-7,11-12,14-15,18,22,25-26,39H,2,4-5,8-10,13,16-17,19-21H2,1H3,(H,37,43)(H,38,41)(H4,34,35,36)/t25-,26+/m1/s1