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

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[2-[[(2S)-1-[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-1-[(2S)-2-amino-4-hydroxy-4-oxo-butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[[(2S)-1-[(2S)-2-amino-4-hydroxy-1,4-dioxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-1-[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-1-[(2S)-2-amino-4-hydroxy-4-keto-butanoyl]prolyl]amino]acetyl]amino]-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-valeric acid Formula: C32H55N11O11 MolecularWeight: 769.8462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C1CCCN1C(=O)C(CC(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C32H55N11O11/c1-15(2)11-19(27(49)42-25(16(3)4)29(51)40-18(31(53)54)7-5-9-37-32(35)36)41-26(48)20(13-22(34)44)39-23(45)14-38-28(50)21-8-6-10-43(21)30(52)17(33)12-24(46)47/h15-21,25H,5-14,33H2,1-4H3,(H2,34,44)(H,38,50)(H,39,45)(H,40,51)(H,41,48)(H,42,49)(H,46,47)(H,53,54)(H4,35,36,37)/t17-,18-,19-,20-,21-,25-/m0/s1