Ac-cggieaqqhllqltvwgikq-conh2

Structural Information

Molecular Formula

C₁₀₁H₁₆₃N₂₉O₂₈S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C101H163N29O28S/c1-16-52(11)82(99(156)120-62(24-20-21-35-102)90(147)116-61(85(107)142)25-30-73(103)133)128-79(139)45-112-87(144)70(39-57-41-109-60-23-19-18-22-59(57)60)126-98(155)81(51(9)10)129-101(158)84(55(14)131)130-97(154)69(38-50(7)8)122-92(149)65(28-33-76(106)136)119-94(151)67(36-48(3)4)123-95(152)68(37-49(5)6)124-96(153)71(40-58-42-108-47-113-58)125-93(150)64(27-32-75(105)135)118-91(148)63(26-31-74(104)134)117-86(143)54(13)114-89(146)66(29-34-80(140)141)121-100(157)83(53(12)17-2)127-78(138)44-110-77(137)43-111-88(145)72(46-159)115-56(15)132/h18-19,22-23,41-42,47-55,61-72,81-84,109,131,159H,16-17,20-21,24-40,43-46,102H2,1-15H3,(H2,103,133)(H2,104,134)(H2,105,135)(H2,106,136)(H2,107,142)(H,108,113)(H,110,137)(H,111,145)(H,112,144)(H,114,146)(H,115,132)(H,116,147)(H,117,143)(H,118,148)(H,119,151)(H,120,156)(H,121,157)(H,122,149)(H,123,152)(H,124,153)(H,125,150)(H,126,155)(H,127,138)(H,128,139)(H,129,158)(H,130,154)(H,140,141)/t52-,53-,54-,55+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,81-,82-,83-,84-/m0/s1

InChIKey

YPGOBYODYBCUKG-CCLSDPCZSA-N

Compound name

(4S)-4-[[(2S,3S)-2-[[2-[[2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197389