(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-azanyl-3-methyl-butanoyl]-3,4-ditritio-pyrrolidin-2-yl]carbonylamino]ethanoyl]-3,4-ditritio-pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-azanyl-3-methyl-butanoyl]-3,4-ditritio-pyrrolidin-2-yl]carbonylamino]ethanoyl]-3,4-ditritio-pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-amino-3-methyl-butanoyl]-3,4-ditritio-pyrrolidine-2-carbonyl]amino]acetyl]-3,4-ditritio-pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[[(2S)-1-[2-[[[(2S)-1-[(2S)-2-amino-3-methyl-1-oxobutyl]-3,4-ditritio-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]-3,4-ditritio-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-3,4-ditritiopyrrolidine-2-carbonyl]amino]acetyl]-3,4-ditritiopyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-amino-3-methyl-butanoyl]-3,4-ditritio-prolyl]amino]acetyl]-3,4-ditritio-prolyl]amino]-5-guanidino-valeric acid Formula: C23H40N8O6 MolecularWeight: 532.646137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[3H]C1CN([C@@H](C1[3H])C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(=O)CNC(=O)[C@@H]2C(C(CN2C(=O)[C@H](C(C)C)N)[3H])[3H]

InChI

InChI=1S/C23H40N8O6/c1-13(2)18(24)21(35)31-11-5-7-15(31)19(33)28-12-17(32)30-10-4-8-16(30)20(34)29-14(22(36)37)6-3-9-27-23(25)26/h13-16,18H,3-12,24H2,1-2H3,(H,28,33)(H,29,34)(H,36,37)(H4,25,26,27)/t14-,15-,16-,18-/m0/s1/i4T,5T,7T,8T/t4?,5?,7?,8?,14-,15-,16-,18-