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(3S)-3-[[(2S)-2-[[(1R,3S,6R)-6-benzamido-5-oxidanylidene-1-(phenylmethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid
(3S)-3-[[(2S)-2-[[(1R,3S,6R)-6-benzamido-5-oxidanylidene-1-(phenylmethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid
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Canonical SMILES:
C1CC(C(=O)N2C1C(CC2C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)O)C(=O)NCC3=CC=CC=C3)CC4=CC=CC=C4)NC(=O)C5=CC=CC=C5.C(=O)(C(F)(F)F)O
Isomeric SMILES
C1CC2[C@@H](C[C@H](N2C(=O)[C@@H]1NC(=O)C3=CC=CC=C3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC4=CC=CC=C4)CC5=CC=CC=C5.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C40H48N8O7.C2HF3O2/c41-40(42)43-20-10-17-29(37(53)47-31(23-34(49)50)36(52)44-24-26-13-6-2-7-14-26)45-38(54)33-22-28(21-25-11-4-1-5-12-25)32-19-18-30(39(55)48(32)33)46-35(51)27-15-8-3-9-16-27;3-2(4,5)1(6)7/h1-9,11-16,28-33H,10,17-24H2,(H,44,52)(H,45,54)(H,46,51)(H,47,53)(H,49,50)(H4,41,42,43);(H,6,7)/t28-,29+,30-,31+,32?,33+;/m1./s1
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