(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-1-[(2S)-4-methyl-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]propanoyl]amino]pentanoyl]pyrrolidin-2-yl]carbonylamino]pentanoic acid

Systemtic Name: (2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-1-[(2S)-4-methyl-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]propanoyl]amino]pentanoyl]pyrrolidin-2-yl]carbonylamino]pentanoic acid Openeye Name: (2S)-5-guanidino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-3-hydroxy-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid CAS Name: (2S)-5-(diaminomethylideneamino)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[(2S)-3-hydroxy-2-[[(2S)-4-methyl-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]pentyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-3-hydroxy-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid Traditional Name: (2S)-5-guanidino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-3-hydroxy-2-[[(2S)-4-methyl-2-[[(2S)-prolyl]amino]pentanoyl]amino]propanoyl]prolyl]amino]acetyl]amino]propanoyl]amino]-4-methyl-pentanoyl]prolyl]amino]valeric acid Formula: C41H70N12O11 MolecularWeight: 907.0683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CO)C(=O)N1CCCC1C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C3CCCN3

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3

InChI

InChI=1S/C41H70N12O11/c1-22(2)18-27(49-34(57)25-10-6-14-44-25)35(58)51-29(21-54)39(62)52-16-8-12-30(52)36(59)46-20-32(55)47-24(5)33(56)50-28(19-23(3)4)38(61)53-17-9-13-31(53)37(60)48-26(40(63)64)11-7-15-45-41(42)43/h22-31,44,54H,6-21H2,1-5H3,(H,46,59)(H,47,55)(H,48,60)(H,49,57)(H,50,56)(H,51,58)(H,63,64)(H4,42,43,45)/t24-,25-,26-,27-,28-,29-,30-,31-/m0/s1