(3S)-4-(1-adamantylmethylamino)-3-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-(1-adamantylmethylamino)-3-[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-(1-adamantylmethylamino)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]acetyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-(1-adamantylmethylamino)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydroisoxazol-5-yl]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-(1-adamantylmethylamino)-3-[[2-[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-(1-adamantylmethylamino)-3-[[2-[3-(4-amidinophenyl)-2-isoxazolin-5-yl]acetyl]amino]-4-keto-butyric acid Formula: C27H35N5O5 MolecularWeight: 509.5973

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C(CC(=O)O)NC(=O)CC4CC(=NO4)C5=CC=C(C=C5)C(=N)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)[C@H](CC(=O)O)NC(=O)CC4CC(=NO4)C5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C27H35N5O5/c28-25(29)19-3-1-18(2-4-19)21-8-20(37-32-21)9-23(33)31-22(10-24(34)35)26(36)30-14-27-11-15-5-16(12-27)7-17(6-15)13-27/h1-4,15-17,20,22H,5-14H2,(H3,28,29)(H,30,36)(H,31,33)(H,34,35)/t15?,16?,17?,20?,22-,27?/m0/s1