(2S)-2-[2-[[(2S)-1-[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoylamino]propanoic acid

Systemtic Name: (2S)-2-[2-[[(2S)-1-[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-[[(2S)-1-[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid CAS Name: (2S)-2-[[2-[[[(2S)-1-[[(2S)-1-[2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxopropyl]amino]-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-[[(2S)-1-[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-[[(2S)-1-[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]acetyl]prolyl]prolyl]amino]acetyl]amino]propionic acid Formula: C35H61N13O10 MolecularWeight: 823.93994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C35H61N13O10/c1-19(45-31(54)23(10-6-14-40-35(38)39)46-29(52)20(2)44-30(53)22(37)9-4-5-13-36)28(51)42-18-27(50)47-15-8-12-25(47)33(56)48-16-7-11-24(48)32(55)41-17-26(49)43-21(3)34(57)58/h19-25H,4-18,36-37H2,1-3H3,(H,41,55)(H,42,51)(H,43,49)(H,44,53)(H,45,54)(H,46,52)(H,57,58)(H4,38,39,40)/t19-,20-,21-,22-,23-,24-,25-/m0/s1