(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[2-[(4-carbamimidoylphenyl)methyl]-3-morpholin-4-yl-3-oxidanylidene-propanoyl]amino]-2-phenyl-ethanoyl]amino]pentanamide

Systemtic Name: (2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[2-[(4-carbamimidoylphenyl)methyl]-3-morpholin-4-yl-3-oxidanylidene-propanoyl]amino]-2-phenyl-ethanoyl]amino]pentanamide Openeye Name: (2S)-2-[[(2S)-2-[[2-[(4-carbamimidoylphenyl)methyl]-3-morpholino-3-oxo-propanoyl]amino]-2-phenyl-acetyl]amino]-5-guanidino-pentanamide CAS Name: (2S)-2-[[(2S)-2-[[2-[(4-carbamimidoylphenyl)methyl]-3-(4-morpholinyl)-1,3-dioxopropyl]amino]-1-oxo-2-phenylethyl]amino]-5-(diaminomethylideneamino)pentanamide IUPAC Name: (2S)-2-[[(2S)-2-[[2-[(4-carbamimidoylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanoyl]amino]-2-phenylacetyl]amino]-5-(diaminomethylideneamino)pentanamide Traditional Name: (2S)-2-[[(2S)-2-[[2-(4-amidinobenzyl)-3-keto-3-morpholino-propanoyl]amino]-2-phenyl-acetyl]amino]-5-guanidino-valeramide Formula: C29H39N9O5 MolecularWeight: 593.67726

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(CC2=CC=C(C=C2)C(=N)N)C(=O)NC(C3=CC=CC=C3)C(=O)NC(CCCN=C(N)N)C(=O)N

Isomeric SMILES

C1COCCN1C(=O)C(CC2=CC=C(C=C2)C(=N)N)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N

InChI

InChI=1S/C29H39N9O5/c30-24(31)20-10-8-18(9-11-20)17-21(28(42)38-13-15-43-16-14-38)26(40)37-23(19-5-2-1-3-6-19)27(41)36-22(25(32)39)7-4-12-35-29(33)34/h1-3,5-6,8-11,21-23H,4,7,12-17H2,(H3,30,31)(H2,32,39)(H,36,41)(H,37,40)(H4,33,34,35)/t21?,22-,23-/m0/s1