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

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-azanyl-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]-3-oxidanyl-propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[[(2S)-1-[[(2S)-1-[(2S)-2-amino-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-4-methyl-pentanoyl]prolyl]prolyl]amino]-3-hydroxy-propanoyl]amino]-5-guanidino-valeric acid Formula: C25H44N8O7 MolecularWeight: 568.66626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N

InChI

InChI=1S/C25H44N8O7/c1-14(2)12-15(26)22(37)33-11-5-8-19(33)23(38)32-10-4-7-18(32)21(36)31-17(13-34)20(35)30-16(24(39)40)6-3-9-29-25(27)28/h14-19,34H,3-13,26H2,1-2H3,(H,30,35)(H,31,36)(H,39,40)(H4,27,28,29)/t15-,16-,17-,18-,19-/m0/s1