tert-butyl (2S)-2-[[(2S)-1-[[(2S)-1-[[(3R,4S)-3-(aminomethyl)-1-[[(2S,3S)-1-[[(2S)-1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-6-methyl-1-oxidanylidene-heptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-1-[[(2S)-1-[[(3R,4S)-3-(aminomethyl)-1-[[(2S,3S)-1-[[(2S)-1-azanyl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-6-methyl-1-oxidanylidene-heptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[(1S)-2-[[(1S)-2-[[(1S,2R)-4-[[(1S,2S)-1-[[(1S)-2-amino-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]amino]-2-(aminomethyl)-1-isobutyl-4-oxo-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(2S)-1-[[(2S)-1-[[(3R,4S)-1-[[(2S,3S)-1-[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(aminomethyl)-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-1-[[(2S)-1-[[(3R,4S)-1-[[(2S,3S)-1-[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(aminomethyl)-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(1S)-2-[[(1S)-2-[[(1S,2R)-4-[[(1S,2S)-1-[[(1S)-2-amino-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamoyl]-2-methyl-butyl]amino]-2-(aminomethyl)-1-isobutyl-4-keto-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C46H70N12O8 MolecularWeight: 919.1236

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N)NC(=O)CC(CN)C(CC(C)C)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)OC(C)(C)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N)NC(=O)C[C@H](CN)[C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C

InChI

InChI=1S/C46H70N12O8/c1-8-28(4)39(44(64)54-34(40(48)60)20-31-23-49-25-51-31)57-38(59)19-30(22-47)33(17-27(2)3)53-42(62)36(21-32-24-50-26-52-32)55-41(61)35(18-29-13-10-9-11-14-29)56-43(63)37-15-12-16-58(37)45(65)66-46(5,6)7/h9-11,13-14,23-28,30,33-37,39H,8,12,15-22,47H2,1-7H3,(H2,48,60)(H,49,51)(H,50,52)(H,53,62)(H,54,64)(H,55,61)(H,56,63)(H,57,59)/t28-,30+,33-,34-,35-,36-,37-,39-/m0/s1