Alpha(1-18)-corticotropin, 1-glycine-18-l-argininamide-, monoacetate (salt)

Structural Information

Molecular Formula

C₁₀₀H₁₅₆N₃₄O₂₂S

SMILES

CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)CN

InChI

InChI=1S/C100H156N34O22S/c1-56(2)82(96(155)118-53-79(138)120-65(23-9-12-37-101)85(144)124-66(24-10-13-38-102)87(146)125-67(27-16-41-114-99(108)109)86(145)123-64(83(105)142)26-15-40-113-98(106)107)133-95(154)77-29-18-43-134(77)97(156)71(25-11-14-39-103)121-80(139)52-117-84(143)74(47-59-50-116-63-22-8-7-21-62(59)63)130-88(147)68(28-17-42-115-100(110)111)126-92(151)73(45-57-19-5-4-6-20-57)129-93(152)75(48-60-51-112-55-119-60)131-89(148)69(34-35-81(140)141)127-90(149)70(36-44-157-3)128-94(153)76(54-135)132-91(150)72(122-78(137)49-104)46-58-30-32-61(136)33-31-58/h4-8,19-22,30-33,50-51,55-56,64-77,82,116,135-136H,9-18,23-29,34-49,52-54,101-104H2,1-3H3,(H2,105,142)(H,112,119)(H,117,143)(H,118,155)(H,120,138)(H,121,139)(H,122,137)(H,123,145)(H,124,144)(H,125,146)(H,126,151)(H,127,149)(H,128,153)(H,129,152)(H,130,147)(H,131,148)(H,132,150)(H,133,154)(H,140,141)(H4,106,107,113)(H4,108,109,114)(H4,110,111,115)/t64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,82-/m0/s1

InChIKey

UCAQRQOWAWUCJG-NIXLADBNSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 85470832