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

Systemtic Name: (2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]ethanoylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]pentanoic acid Openeye Name: (2S)-5-guanidino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid CAS Name: (2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[2-[[(2S)-4-methyl-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]pentyl]amino]-1-oxoethyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]pentanoic acid IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid Traditional Name: (2S)-5-guanidino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-4-methyl-2-[[(2S)-prolyl]amino]pentanoyl]amino]acetyl]amino]propanoyl]prolyl]amino]propanoyl]amino]valeric acid Formula: C30H52N10O8 MolecularWeight: 680.79608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C2CCCN2

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2

InChI

InChI=1S/C30H52N10O8/c1-16(2)14-21(39-26(44)19-8-5-11-33-19)25(43)35-15-23(41)36-18(4)28(46)40-13-7-10-22(40)27(45)37-17(3)24(42)38-20(29(47)48)9-6-12-34-30(31)32/h16-22,33H,5-15H2,1-4H3,(H,35,43)(H,36,41)(H,37,45)(H,38,42)(H,39,44)(H,47,48)(H4,31,32,34)/t17-,18-,19-,20-,21-,22-/m0/s1