(4S)-4-[2-[[(2S,3S)-1-[(2S)-2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]-3-oxidanyl-pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[2-[[(2S,3S)-1-[(2S)-2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]-3-oxidanyl-pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[2-[[(2S,3S)-1-[(2S)-2-[(2-aminoacetyl)amino]-5-guanidino-pentanoyl]-3-hydroxy-pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-[[(1S)-1-carboxy-4-guanidino-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[2-[[[(2S,3S)-1-[(2S)-2-[(2-amino-1-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]-3-hydroxy-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-5-[[(2S)-5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[2-[[(2S,3S)-1-[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]-3-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-5-[[(2S)-5-(diaminomethylideneamino)-1-hydroxy-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-1-carboxy-4-guanidino-butyl]amino]-4-[[2-[[(2S,3S)-1-[(2S)-2-(glycylamino)-5-guanidino-pentanoyl]-3-hydroxy-prolyl]amino]acetyl]amino]-5-keto-valeric acid Formula: C26H46N12O10 MolecularWeight: 686.71784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1O)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)O)C(=O)C(CCCN=C(N)N)NC(=O)CN

Isomeric SMILES

C1CN([C@@H]([C@H]1O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NC(=O)CN

InChI

InChI=1S/C26H46N12O10/c27-11-17(40)36-14(3-1-8-32-25(28)29)23(46)38-10-7-16(39)20(38)22(45)34-12-18(41)35-13(5-6-19(42)43)21(44)37-15(24(47)48)4-2-9-33-26(30)31/h13-16,20,39H,1-12,27H2,(H,34,45)(H,35,41)(H,36,40)(H,37,44)(H,42,43)(H,47,48)(H4,28,29,32)(H4,30,31,33)/t13-,14-,15-,16-,20-/m0/s1