(2S)-N-[(2S)-5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]-2-[[(2S)-4-methyl-2-[2-[[(2S)-2-(2-oxidanylidenepropylamino)propanoyl]amino]ethanoylamino]pentanoyl]amino]butanediamide

Systemtic Name: (2S)-N-[(2S)-5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]-2-[[(2S)-4-methyl-2-[2-[[(2S)-2-(2-oxidanylidenepropylamino)propanoyl]amino]ethanoylamino]pentanoyl]amino]butanediamide Openeye Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-(acetonylamino)propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-N-[(1S)-4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]butanediamide CAS Name: (2S)-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]-2-[[(2S)-4-methyl-1-oxo-2-[[1-oxo-2-[[(2S)-1-oxo-2-(2-oxopropylamino)propyl]amino]ethyl]amino]pentyl]amino]butanediamide IUPAC Name: (2S)-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]-2-[[(2S)-4-methyl-2-[[2-[[(2S)-2-(2-oxopropylamino)propanoyl]amino]acetyl]amino]pentanoyl]amino]butanediamide Traditional Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-(acetonylamino)propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-N-[(1S)-4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]succinamide Formula: C30H47N11O9 MolecularWeight: 705.76248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CNC(=O)C(C)NCC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NCC(=O)C

InChI

InChI=1S/C30H47N11O9/c1-16(2)12-22(38-25(44)15-36-26(45)18(4)35-14-17(3)42)28(47)40-23(13-24(31)43)29(48)39-21(6-5-11-34-30(32)33)27(46)37-19-7-9-20(10-8-19)41(49)50/h7-10,16,18,21-23,35H,5-6,11-15H2,1-4H3,(H2,31,43)(H,36,45)(H,37,46)(H,38,44)(H,39,48)(H,40,47)(H4,32,33,34)/t18-,21-,22-,23-/m0/s1