Tachyplesin iii

Structural Information

Molecular Formula

C₉₉H₁₅₅N₃₃O₁₉S₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CS)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C99H155N33O19S4/c1-5-54(4)79(95(151)130-76(52-155)93(149)126-71(45-57-31-35-60(134)36-32-57)88(144)121-67(27-17-41-114-98(108)109)83(139)120-66(24-12-14-38-101)84(140)127-73(49-152)90(146)118-64(80(103)136)25-15-39-112-96(104)105)131-77(135)48-117-82(138)65(26-16-40-113-97(106)107)119-86(142)70(44-56-29-33-59(133)34-30-56)125-92(148)75(51-154)129-94(150)78(53(2)3)132-85(141)68(28-18-42-115-99(110)111)122-87(143)69(43-55-19-7-6-8-20-55)124-91(147)74(50-153)128-89(145)72(123-81(137)62(102)22-11-13-37-100)46-58-47-116-63-23-10-9-21-61(58)63/h6-10,19-21,23,29-36,47,53-54,62,64-76,78-79,116,133-134,152-155H,5,11-18,22,24-28,37-46,48-52,100-102H2,1-4H3,(H2,103,136)(H,117,138)(H,118,146)(H,119,142)(H,120,139)(H,121,144)(H,122,143)(H,123,137)(H,124,147)(H,125,148)(H,126,149)(H,127,140)(H,128,145)(H,129,150)(H,130,151)(H,131,135)(H,132,141)(H4,104,105,112)(H4,106,107,113)(H4,108,109,114)(H4,110,111,115)/t54-,62-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,78-,79-/m0/s1

InChIKey

HMHANTFVNOFNNZ-CPFWMRGPSA-N

Compound name

(2S)-2,6-diamino-N-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2R)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]hexanamide

Related CIDs

• CID 16739289