methyl (2S)-2-[2-[[2-[bis(azanyl)methylideneamino]-2-[(2R)-pyrrolidin-2-yl]ethanoyl]amino]ethanoylamino]-3-[4-(2-phenylethynyl)phenyl]propanoate

Systemtic Name: methyl (2S)-2-[2-[[2-[bis(azanyl)methylideneamino]-2-[(2R)-pyrrolidin-2-yl]ethanoyl]amino]ethanoylamino]-3-[4-(2-phenylethynyl)phenyl]propanoate Openeye Name: methyl (2S)-2-[[2-[[2-guanidino-2-[(2R)-pyrrolidin-2-yl]acetyl]amino]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate CAS Name: (2S)-2-[[2-[[2-(diaminomethylideneamino)-1-oxo-2-[(2R)-2-pyrrolidinyl]ethyl]amino]-1-oxoethyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[[2-(diaminomethylideneamino)-2-[(2R)-pyrrolidin-2-yl]acetyl]amino]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propanoate Traditional Name: (2S)-2-[[2-[[2-guanidino-2-[(2R)-pyrrolidin-2-yl]acetyl]amino]acetyl]amino]-3-[4-(2-phenylethynyl)phenyl]propionic acid methyl ester Formula: C27H32N6O4 MolecularWeight: 504.58078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C#CC2=CC=CC=C2)NC(=O)CNC(=O)C(C3CCCN3)N=C(N)N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)C#CC2=CC=CC=C2)NC(=O)CNC(=O)C([C@H]3CCCN3)N=C(N)N

InChI

InChI=1S/C27H32N6O4/c1-37-26(36)22(16-20-13-11-19(12-14-20)10-9-18-6-3-2-4-7-18)32-23(34)17-31-25(35)24(33-27(28)29)21-8-5-15-30-21/h2-4,6-7,11-14,21-22,24,30H,5,8,15-17H2,1H3,(H,31,35)(H,32,34)(H4,28,29,33)/t21-,22+,24?/m1/s1