(phenylmethyl) N-[N'-[(4S)-4-methyl-4-[[(2S)-1-[(2R)-2-(methylamino)-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentyl]carbamimidoyl]carbamate

Systemtic Name: (phenylmethyl) N-[N'-[(4S)-4-methyl-4-[[(2S)-1-[(2R)-2-(methylamino)-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentyl]carbamimidoyl]carbamate Openeye Name: benzyl N-[N'-[(4S)-4-methyl-4-[[(2S)-1-[(2R)-2-(methylamino)-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxo-pentyl]carbamimidoyl]carbamate CAS Name: N-[amino-[(4S)-4-methyl-4-[[[(2S)-1-[(2R)-2-(methylamino)-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-oxopentyl]iminomethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[N'-[(4S)-4-methyl-4-[[(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentyl]carbamimidoyl]carbamate Traditional Name: N-[N'-[(4S)-5-keto-4-methyl-4-[[(2S)-1-[(2R)-2-(methylamino)-3-phenyl-propanoyl]prolyl]amino]pentyl]amidino]carbamic acid benzyl ester Formula: C30H40N6O5 MolecularWeight: 564.6758

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN=C(N)NC(=O)OCC1=CC=CC=C1)(C=O)NC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC

Isomeric SMILES

C[C@](CCCN=C(N)NC(=O)OCC1=CC=CC=C1)(C=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3=CC=CC=C3)NC

InChI

InChI=1S/C30H40N6O5/c1-30(21-37,16-10-17-33-28(31)34-29(40)41-20-23-13-7-4-8-14-23)35-26(38)25-15-9-18-36(25)27(39)24(32-2)19-22-11-5-3-6-12-22/h3-8,11-14,21,24-25,32H,9-10,15-20H2,1-2H3,(H,35,38)(H3,31,33,34,40)/t24-,25+,30+/m1/s1