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tert-butyl N-[(2S)-1-[[(2S)-1-[[2-[[(2R)-1-[[(2S)-1-(dipentylamino)-1-oxidanylidene-hexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-3-(4-sulfooxyphenyl)propan-2-yl]carbamate
tert-butyl N-[(2S)-1-[[(2S)-1-[[2-[[(2R)-1-[[(2S)-1-(dipentylamino)-1-oxidanylidene-hexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-3-(4-sulfooxyphenyl)propan-2-yl]carbamate
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Canonical SMILES:
CCCCCN(CCCCC)C(=O)C(CCCC)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)C(CCCC)NC(=O)C(CC3=CC=C(C=C3)OS(=O)(=O)O)NC(=O)OC(C)(C)C
Isomeric SMILES
CCCCCN(CCCCC)C(=O)[C@H](CCCC)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)[C@H](CCCC)NC(=O)[C@H](CC3=CC=C(C=C3)OS(=O)(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C49H75N7O11S/c1-8-12-18-28-56(29-19-13-9-2)47(61)40(22-15-11-4)54-46(60)42(31-35-32-50-38-23-17-16-20-37(35)38)52-43(57)33-51-44(58)39(21-14-10-3)53-45(59)41(55-48(62)66-49(5,6)7)30-34-24-26-36(27-25-34)67-68(63,64)65/h16-17,20,23-27,32,39-42,50H,8-15,18-19,21-22,28-31,33H2,1-7H3,(H,51,58)(H,52,57)(H,53,59)(H,54,60)(H,55,62)(H,63,64,65)/t39-,40-,41-,42+/m0/s1
Other Product
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- 2-oxidanylidene-3-sulfanyl-propanoic acid
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