(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonyl-phenyldiazenyl-amino]pentanoic acid

Systemtic Name: (2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonyl-phenyldiazenyl-amino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-1-benzyloxycarbonylpyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]-phenylazo-amino]-5-guanidino-pentanoic acid CAS Name: (2S)-5-(diaminomethylideneamino)-2-[[[(2S)-1-[2-[[(2S)-4-methyl-1-oxo-2-[[oxo-[(2S)-1-phenylmethoxycarbonyl-2-pyrrolidinyl]methyl]amino]pentyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]-phenyldiazenylamino]pentanoic acid IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[2-[[(2S)-4-methyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]-phenyldiazenylamino]pentanoic acid Traditional Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-1-carbobenzoxyprolyl]amino]-4-methyl-pentanoyl]amino]acetyl]prolyl]-phenylazo-amino]-5-guanidino-valeric acid Formula: C38H52N10O8 MolecularWeight: 776.88168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)N1CCCC1C(=O)N(C(CCCN=C(N)N)C(=O)O)N=NC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)N=NC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C38H52N10O8/c1-25(2)22-28(43-34(51)29-17-10-21-47(29)38(55)56-24-26-12-5-3-6-13-26)33(50)42-23-32(49)46-20-11-18-30(46)35(52)48(45-44-27-14-7-4-8-15-27)31(36(53)54)16-9-19-41-37(39)40/h3-8,12-15,25,28-31H,9-11,16-24H2,1-2H3,(H,42,50)(H,43,51)(H,53,54)(H4,39,40,41)/t28-,29-,30-,31-/m0/s1