2-[7-[2-[4-[(2S)-2-[2-[(3R)-1-carbamimidoylpiperidin-3-yl]ethanoylamino]-3-methoxy-3-oxidanylidene-propyl]phenyl]ethynyl]-1H-indol-3-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[7-[2-[4-[(2S)-2-[2-[(3R)-1-carbamimidoylpiperidin-3-yl]ethanoylamino]-3-methoxy-3-oxidanylidene-propyl]phenyl]ethynyl]-1H-indol-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[7-[2-[4-[(2S)-2-[[2-[(3R)-1-carbamimidoyl-3-piperidyl]acetyl]amino]-3-methoxy-3-oxo-propyl]phenyl]ethynyl]-1H-indol-3-yl]-2-oxo-acetic acid CAS Name: 2-[7-[2-[4-[(2S)-2-[[2-[(3R)-1-carbamimidoyl-3-piperidinyl]-1-oxoethyl]amino]-3-methoxy-3-oxopropyl]phenyl]ethynyl]-1H-indol-3-yl]-2-oxoacetic acid IUPAC Name: 2-[7-[2-[4-[(2S)-2-[[2-[(3R)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-methoxy-3-oxopropyl]phenyl]ethynyl]-1H-indol-3-yl]-2-oxoacetic acid Traditional Name: 2-[7-[2-[4-[(2S)-2-[[2-[(3R)-1-amidino-3-piperidyl]acetyl]amino]-3-keto-3-methoxy-propyl]phenyl]ethynyl]-1H-indol-3-yl]-2-keto-acetic acid Formula: C30H31N5O6 MolecularWeight: 557.59704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C#CC2=C3C(=CC=C2)C(=CN3)C(=O)C(=O)O)NC(=O)CC4CCCN(C4)C(=N)N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)C#CC2=C3C(=CC=C2)C(=CN3)C(=O)C(=O)O)NC(=O)C[C@H]4CCCN(C4)C(=N)N

InChI

InChI=1S/C30H31N5O6/c1-41-29(40)24(34-25(36)15-20-4-3-13-35(17-20)30(31)32)14-19-9-7-18(8-10-19)11-12-21-5-2-6-22-23(16-33-26(21)22)27(37)28(38)39/h2,5-10,16,20,24,33H,3-4,13-15,17H2,1H3,(H3,31,32)(H,34,36)(H,38,39)/t20-,24+/m1/s1