[(2R,3S,4S,5R,6R)-2-[(2S,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-1-[[(2S)-2-amino-2-carbamoyl-ethyl]amino]-2-carbamoyl-ethyl]-5-methyl-pyrimidine-4-carbonyl]amino]-2-[[(2R,3S,4S)-4-[[(1S,2R)-1-[2-[4-[4-[4-[[N'-[4-(diaminomethylideneamino)butyl]carbamimidoyl]amino]butylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylcarbamoyl]-2-hydroxy-propyl]carbamoyl]-3-hydroxy-pentan-2-yl]carbamoyl]-1-(3H-imidazol-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
Molecular Formula:
C60H95N23O21S2
InChI: InChI=1/C60H95N23O21S2/c1-23-36(80-49(83-47(23)63)28(15-34(62)87)75-16-27(61)48(64)93)53(97)82-38(44(29-17-69-22-76-29)102-57-46(42(91)40(89)32(18-84)101-57)103-56-43(92)45(104-60(68)99)41(90)33(19-85)100-56)54(98)77-25(3)39(88)24(2)50(94)81-37(26(4)86)52(96)71-14-9-35-78-31(21-105-35)55-79-30(20-106-55)51(95)70-10-5-7-12-73-59(67)74-13-8-6-11-72-58(65)66/h17,20-22,24-28,32-33,37-46,56-57,75,84-86,88-92H,5-16,18-19,61H2,1-4H3,(H2,62,87)(H2,64,93)(H2,68,99)(H,69,76)(H,70,95)(H,71,96)(H,77,98)(H,81,94)(H,82,97)(H2,63,80,83)(H4,65,66,72)(H3,67,73,74)/t24-,25+,26+,27-,28-,32-,33+,37-,38-,39-,40+,41+,42-,43-,44-,45-,46-,56+,57-/m0/s1/f/h70-71,73,76-77,81-82H,62-68H2/b74-59+
InChIKey: InChIKey=IXPJNVDNBVHEMC-HCLOWPLNDD
SMILES: CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCCNC(=NCCCCN=C(N)N)N)O
Names:
[(2R,3S,4S,5R,6R)-2-[(2S,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-1-[[(2S)-2-amino-2-carbamoyl-ethyl]amino]-2-carbamoyl-ethyl]-5-methyl-pyrimidine-4-carbonyl]amino]-2-[[(2R,3S,4S)-4-[[(1S,2R)-1-[2-[4-[4-[4-[[N'-[4-(diaminomethylideneamino)butyl]carbamimidoyl]amino]butylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylcarbamoyl]-2-hydroxy-propyl]carbamoyl]-3-hydroxy-pentan-2-yl]carbamoyl]-1-(3H-imidazol-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
Registries:
PubChem CID 10351582
PubChem ID 15363131
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