Nsc676933

Structural Information

Molecular Formula

C₉₄H₁₃₄N₃₀O₂₄S

SMILES

CC(C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N)NC(=O)CNC(=O)CNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CO)NC(=O)C(CC3=CNC=N3)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CO)NC(=O)C6CCCN6C(=O)C(CC7=CNC8=CC=CC=C87)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CS)NC(=O)C

InChI

InChI=1S/C94H134N30O24S/c1-48(79(134)114-64(26-27-75(97)130)84(139)115-62(23-11-13-29-96)82(137)110-49(2)80(135)113-63(24-14-30-102-94(99)100)83(138)112-61(78(98)133)22-10-12-28-95)109-77(132)41-106-76(131)40-107-81(136)65(32-51-36-103-58-19-7-4-16-55(51)58)116-87(142)69(42-125)120-86(141)67(35-54-39-101-47-108-54)118-85(140)66(33-52-37-104-59-20-8-5-17-56(52)59)117-88(143)72(45-128)123-92(147)74-25-15-31-124(74)93(148)68(34-53-38-105-60-21-9-6-18-57(53)60)119-89(144)70(43-126)121-90(145)71(44-127)122-91(146)73(46-149)111-50(3)129/h4-9,16-21,36-39,47-49,61-74,103-105,125-128,149H,10-15,22-35,40-46,95-96H2,1-3H3,(H2,97,130)(H2,98,133)(H,101,108)(H,106,131)(H,107,136)(H,109,132)(H,110,137)(H,111,129)(H,112,138)(H,113,135)(H,114,134)(H,115,139)(H,116,142)(H,117,143)(H,118,140)(H,119,144)(H,120,141)(H,121,145)(H,122,146)(H,123,147)(H4,99,100,102)

InChIKey

ICZXKUKCBCWCRM-UHFFFAOYSA-N

Compound name

2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]propanoylamino]-N-[6-amino-1-[[1-[[5-carbamimidamido-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pentanediamide

Related CIDs

• CID 16129812