(2S)-2-[[(2S)-2-[2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]ethanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-(benzyloxycarbonylamino)-5-guanidino-pentanoyl]amino]acetyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-1-oxoethyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]acetyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-(benzyloxycarbonylamino)-5-guanidino-pentanoyl]amino]acetyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-butyric acid Formula: C25H37N7O9 MolecularWeight: 579.60278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C25H37N7O9/c1-14(2)20(23(38)39)32-22(37)17(11-19(34)35)30-18(33)12-29-21(36)16(9-6-10-28-24(26)27)31-25(40)41-13-15-7-4-3-5-8-15/h3-5,7-8,14,16-17,20H,6,9-13H2,1-2H3,(H,29,36)(H,30,33)(H,31,40)(H,32,37)(H,34,35)(H,38,39)(H4,26,27,28)/t16-,17-,20-/m0/s1