(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]prolyl]prolyl]amino]-4-methyl-pentanoyl]proline Formula: C38H64N10O9 MolecularWeight: 804.97636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)O)NC(=O)C2CCCN2C(=O)C3CCCN3C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)C

InChI

InChI=1S/C38H64N10O9/c1-21(2)19-26(44-31(50)23(5)42-32(51)25(43-24(6)49)11-7-15-41-38(39)40)34(53)47-17-9-13-29(47)36(55)46-16-8-12-28(46)33(52)45-27(20-22(3)4)35(54)48-18-10-14-30(48)37(56)57/h21-23,25-30H,7-20H2,1-6H3,(H,42,51)(H,43,49)(H,44,50)(H,45,52)(H,56,57)(H4,39,40,41)/t23-,25-,26-,27-,28-,29-,30-/m0/s1