propan-2-yl (2S)-2-[[(2S)-2-azanyl-4-oxidanylidene-4-propan-2-yloxy-butanoyl]-phenyl-amino]-2-[(4-carbamimidoylphenyl)carbamoylamino]-3-oxidanylidene-butanoate

Systemtic Name: propan-2-yl (2S)-2-[[(2S)-2-azanyl-4-oxidanylidene-4-propan-2-yloxy-butanoyl]-phenyl-amino]-2-[(4-carbamimidoylphenyl)carbamoylamino]-3-oxidanylidene-butanoate Openeye Name: isopropyl (2S)-2-(N-[(2S)-2-amino-4-isopropoxy-4-oxo-butanoyl]anilino)-2-[(4-carbamimidoylphenyl)carbamoylamino]-3-oxo-butanoate CAS Name: (2S)-2-(N-[(2S)-2-amino-1,4-dioxo-4-propan-2-yloxybutyl]anilino)-2-[[(4-carbamimidoylanilino)-oxomethyl]amino]-3-oxobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-(N-[(2S)-2-amino-4-oxo-4-propan-2-yloxybutanoyl]anilino)-2-[(4-carbamimidoylphenyl)carbamoylamino]-3-oxobutanoate Traditional Name: (2S)-2-[(4-amidinophenyl)carbamoylamino]-2-(N-[(2S)-2-amino-4-isopropoxy-4-keto-butanoyl]anilino)-3-keto-butyric acid isopropyl ester Formula: C28H36N6O7 MolecularWeight: 568.62144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C(=O)N(C1=CC=CC=C1)C(C(=O)C)(C(=O)OC(C)C)NC(=O)NC2=CC=C(C=C2)C(=N)N)N

Isomeric SMILES

CC(C)OC(=O)C[C@@H](C(=O)N(C1=CC=CC=C1)[C@@](C(=O)C)(C(=O)OC(C)C)NC(=O)NC2=CC=C(C=C2)C(=N)N)N

InChI

InChI=1S/C28H36N6O7/c1-16(2)40-23(36)15-22(29)25(37)34(21-9-7-6-8-10-21)28(18(5)35,26(38)41-17(3)4)33-27(39)32-20-13-11-19(12-14-20)24(30)31/h6-14,16-17,22H,15,29H2,1-5H3,(H3,30,31)(H2,32,33,39)/t22-,28-/m0/s1