Nsc693202

Structural Information

Molecular Formula

C₈₁H₁₄₀N₂₈O₂₂

SMILES

CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N1CCCC1C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)NC(C(C)OC3C(C(C(C(O3)CO)O)O)NC(=O)C)C(=O)NC(C(C)CC)C(=O)NCC(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C81H140N28O22/c1-10-41(5)60(74(126)96-37-56(113)100-48(66(85)118)24-15-16-30-82)107-77(129)62(44(8)130-78-63(99-45(9)111)65(117)64(116)54(39-110)131-78)108-75(127)59(40(3)4)105-72(124)52(35-46-21-13-12-14-22-46)104-67(119)43(7)98-70(122)50(26-19-33-94-81(90)91)101-57(114)36-95-73(125)53-27-20-34-109(53)58(115)38-97-69(121)49(25-18-32-93-80(88)89)102-71(123)51(28-29-55(84)112)103-76(128)61(42(6)11-2)106-68(120)47(83)23-17-31-92-79(86)87/h12-14,21-22,40-44,47-54,59-65,78,110,116-117H,10-11,15-20,23-39,82-83H2,1-9H3,(H2,84,112)(H2,85,118)(H,95,125)(H,96,126)(H,97,121)(H,98,122)(H,99,111)(H,100,113)(H,101,114)(H,102,123)(H,103,128)(H,104,119)(H,105,124)(H,106,120)(H,107,129)(H,108,127)(H4,86,87,92)(H4,88,89,93)(H4,90,91,94)

InChIKey

AXQISVKXLSXSGQ-UHFFFAOYSA-N

Compound name

N-[1-[[2-[2-[[2-[[1-[[1-[[1-[[1-[[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[1-[[2-[(1,6-diamino-1-oxohexan-2-yl)amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]pentanediamide

Related CIDs

• CID 25078022