Sp89364

Structural Information

Molecular Formula

C₁₀₁H₁₇₆N₃₈O₂₈S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCNC(=N)N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)N

InChI

InChI=1S/C101H176N38O28S/c1-12-49(6)74(91(160)120-44-71(146)124-63(97(166)167)26-19-21-35-103)136-96(165)78(54(11)142)138-92(161)73(48(4)5)133-87(156)64(41-55-23-16-15-17-24-55)130-79(148)52(9)122-82(151)60(31-37-116-99(109)110)123-70(145)43-119-90(159)67-27-22-40-139(67)72(147)45-121-81(150)59(30-36-115-98(107)108)126-84(153)58(28-29-68(105)143)127-93(162)75(50(7)13-2)134-86(155)62(33-39-118-101(113)114)128-94(163)76(51(8)14-3)135-89(158)66(46-140)132-83(152)57(25-18-20-34-102)125-85(154)61(32-38-117-100(111)112)129-95(164)77(53(10)141)137-88(157)65(42-69(106)144)131-80(149)56(104)47-168/h15-17,23-24,48-54,56-67,73-78,140-142,168H,12-14,18-22,25-47,102-104H2,1-11H3,(H2,105,143)(H2,106,144)(H,119,159)(H,120,160)(H,121,150)(H,122,151)(H,123,145)(H,124,146)(H,125,154)(H,126,153)(H,127,162)(H,128,163)(H,129,164)(H,130,148)(H,131,149)(H,132,152)(H,133,156)(H,134,155)(H,135,158)(H,136,165)(H,137,157)(H,138,161)(H,166,167)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)(H4,113,114,118)/t49-,50-,51-,52-,53+,54+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-,76-,77-,78-/m0/s1

InChIKey

GODHTHADYFNFHD-LVYSWLDDSA-N

Compound name

(2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-4-carbamimidamidobutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-carbamimidamidobutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-carbamimidamidobutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-carbamimidamidobutanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoic acid

Related CIDs

• CID 16186422