Nsc615272

Structural Information

Molecular Formula

C₇₆H₁₁₈N₂₄O₂₃

SMILES

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)N)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)CNC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)CN

InChI

InChI=1S/C76H118N24O23/c1-36(2)25-50(69(118)96-53(29-60(109)110)72(121)92-47(16-12-24-84-76(81)82)67(116)95-52(28-42-31-85-45-14-10-9-13-44(42)45)71(120)93-49(62(78)111)27-41-17-19-43(103)20-18-41)94-68(117)48(21-22-59(107)108)90-58(106)33-86-57(105)32-87-65(114)54(34-101)99-70(119)51(26-37(3)4)97-74(123)61(38(5)6)100-73(122)55(35-102)98-64(113)40(8)89-66(115)46(15-11-23-83-75(79)80)91-63(112)39(7)88-56(104)30-77/h9-10,13-14,17-20,31,36-40,46-55,61,85,101-103H,11-12,15-16,21-30,32-35,77H2,1-8H3,(H2,78,111)(H,86,105)(H,87,114)(H,88,104)(H,89,115)(H,90,106)(H,91,112)(H,92,121)(H,93,120)(H,94,117)(H,95,116)(H,96,118)(H,97,123)(H,98,113)(H,99,119)(H,100,122)(H,107,108)(H,109,110)(H4,79,80,83)(H4,81,82,84)

InChIKey

ANQQNOBLKHPTFS-UHFFFAOYSA-N

Compound name

4-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[2-[(2-aminoacetyl)amino]propanoylamino]-5-carbamimidamidopentanoyl]amino]propanoylamino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-5-[[1-[[1-[[1-[[1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16129860