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

Systemtic Name: (2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-3-oxidanyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoyl]amino]ethanoylamino]propanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoic acid Openeye Name: (2S)-2-[[(2S)-5-guanidino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoic acid CAS Name: (2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-3-hydroxy-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]propyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopentyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]pentanoyl]amino]propanoic acid Traditional Name: (2S)-2-[[(2S)-5-guanidino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-3-hydroxy-2-[[(2S)-prolyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]pentanoyl]amino]propionic acid Formula: C25H44N10O9 MolecularWeight: 628.67846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)O)NC(=O)CNC(=O)C(CO)NC(=O)C1CCCN1

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1

InChI

InChI=1S/C25H44N10O9/c1-12(31-18(37)10-30-21(40)17(11-36)35-22(41)15-6-4-8-28-15)19(38)32-13(2)20(39)34-16(7-5-9-29-25(26)27)23(42)33-14(3)24(43)44/h12-17,28,36H,4-11H2,1-3H3,(H,30,40)(H,31,37)(H,32,38)(H,33,42)(H,34,39)(H,35,41)(H,43,44)(H4,26,27,29)/t12-,13-,14-,15-,16-,17-/m0/s1