(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1-ethanoyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1-ethanoyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-1-acetyl-N-[(1S)-2-[[(1S)-1-[[(1S)-2-amino-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-benzyl-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-acetyl-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-acetyl-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-acetyl-N-[(1S)-2-[[(1S)-1-[[(1S)-2-amino-2-keto-1-methylol-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-benzyl-2-keto-ethyl]pyrrolidine-2-carboxamide Formula: C25H38N8O6 MolecularWeight: 546.61922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)N

Isomeric SMILES

CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N

InChI

InChI=1S/C25H38N8O6/c1-15(35)33-12-6-10-20(33)24(39)31-18(13-16-7-3-2-4-8-16)23(38)30-17(9-5-11-29-25(27)28)22(37)32-19(14-34)21(26)36/h2-4,7-8,17-20,34H,5-6,9-14H2,1H3,(H2,26,36)(H,30,38)(H,31,39)(H,32,37)(H4,27,28,29)/t17-,18-,19-,20-/m0/s1