(2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-(2-azanylethanoyl)pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-(2-amino-1-oxoethyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-glycylprolyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]prolyl]amino]-3-phenyl-propanoyl]proline Formula: C39H59N11O9 MolecularWeight: 825.95406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)O)NC(=O)C4CCCN4C(=O)CN

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)CN

InChI

InChI=1S/C39H59N11O9/c1-23(2)32(47-35(55)28-14-7-17-48(28)30(51)21-40)36(56)45-25(12-6-16-43-39(41)42)33(53)44-22-31(52)49-18-8-13-27(49)34(54)46-26(20-24-10-4-3-5-11-24)37(57)50-19-9-15-29(50)38(58)59/h3-5,10-11,23,25-29,32H,6-9,12-22,40H2,1-2H3,(H,44,53)(H,45,56)(H,46,54)(H,47,55)(H,58,59)(H4,41,42,43)/t25-,26-,27-,28-,29-,32-/m0/s1