3-methyl-N-[(5R,8S,11R)-11-[(1S)-3-[[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanyl-3-oxidanylidene-propyl]-6,9-bis(oxidanylidene)-8-propan-2-yl-3,13-dithia-7,10-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-5-yl]butanamide

Systemtic Name: 3-methyl-N-[(5R,8S,11R)-11-[(1S)-3-[[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanyl-3-oxidanylidene-propyl]-6,9-bis(oxidanylidene)-8-propan-2-yl-3,13-dithia-7,10-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-5-yl]butanamide Openeye Name: N-[(5R,8S,11R)-11-[(1S)-1-hydroxy-3-[[(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethyl]amino]-3-oxo-propyl]-8-isopropyl-6,9-dioxo-3,13-dithia-7,10-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-5-yl]-3-methyl-butanamide CAS Name: N-[(5R,8S,11R)-11-[(1S)-1-hydroxy-3-[[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]-6,9-dioxo-8-propan-2-yl-3,13-dithia-7,10-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-5-yl]-3-methylbutanamide IUPAC Name: N-[(5R,8S,11R)-11-[(1S)-1-hydroxy-3-[[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]-3-oxopropyl]-6,9-dioxo-8-propan-2-yl-3,13-dithia-7,10-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-5-yl]-3-methylbutanamide Traditional Name: N-[(5R,8S,11R)-11-[(1S)-1-hydroxy-3-[[(1S)-2-(isoamylamino)-2-keto-1-methyl-ethyl]amino]-3-keto-propyl]-8-isopropyl-6,9-diketo-3,13-dithia-7,10-diazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-5-yl]-3-methyl-butyramide Formula: C34H55N5O6S2 MolecularWeight: 693.9604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(C)NC(=O)CC(C1CSCC2=CC=CC(=C2)CSCC(C(=O)NC(C(=O)N1)C(C)C)NC(=O)CC(C)C)O

Isomeric SMILES

C[C@@H](C(=O)NCCC(C)C)NC(=O)C[C@@H]([C@@H]1CSCC2=CC=CC(=C2)CSC[C@@H](C(=O)N[C@H](C(=O)N1)C(C)C)NC(=O)CC(C)C)O

InChI

InChI=1S/C34H55N5O6S2/c1-20(2)11-12-35-32(43)23(7)36-30(42)15-28(40)26-18-46-16-24-9-8-10-25(14-24)17-47-19-27(37-29(41)13-21(3)4)33(44)39-31(22(5)6)34(45)38-26/h8-10,14,20-23,26-28,31,40H,11-13,15-19H2,1-7H3,(H,35,43)(H,36,42)(H,37,41)(H,38,45)(H,39,44)/t23-,26-,27-,28-,31-/m0/s1