[4-[(2R)-2-azanyl-3-[[(2S)-1-[[(2R)-3-(1H-indol-3-yl)-1-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanylidene-propyl]phenyl] hydrogen sulfate

Systemtic Name: [4-[(2R)-2-azanyl-3-[[(2S)-1-[[(2R)-3-(1H-indol-3-yl)-1-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanylidene-propyl]phenyl] hydrogen sulfate Openeye Name: [4-[(2R)-2-amino-3-[[(1S)-1-benzyl-2-[[(1R)-1-(1H-indol-3-ylmethyl)-2-[[(1S)-1-(isopentylcarbamoyl)-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-3-oxo-propyl]phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-[(2R)-2-amino-3-[[(2S)-1-[[(2R)-3-(1H-indol-3-yl)-1-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]phenyl] ester IUPAC Name: [4-[(2R)-2-amino-3-[[(2S)-1-[[(2R)-3-(1H-indol-3-yl)-1-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-[(2R)-2-amino-3-[[(1S)-1-benzyl-2-[[(1R)-1-(1H-indol-3-ylmethyl)-2-[[(1S)-1-(isoamylcarbamoyl)-3-methyl-butyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]amino]-3-keto-propyl]phenyl] ester Formula: C40H52N6O8S MolecularWeight: 776.94128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(CC(C)C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)OS(=O)(=O)O)N

Isomeric SMILES

CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)OS(=O)(=O)O)N

InChI

InChI=1S/C40H52N6O8S/c1-25(2)18-19-42-38(48)34(20-26(3)4)45-40(50)36(23-29-24-43-33-13-9-8-12-31(29)33)46-39(49)35(22-27-10-6-5-7-11-27)44-37(47)32(41)21-28-14-16-30(17-15-28)54-55(51,52)53/h5-17,24-26,32,34-36,43H,18-23,41H2,1-4H3,(H,42,48)(H,44,47)(H,45,50)(H,46,49)(H,51,52,53)/t32-,34+,35+,36-/m1/s1