Treculavirin

Structural Information

Molecular Formula

C₂₀₅H₂₉₉N₆₅O₇₅S₁₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]6CCCN6C(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]8CCCN8C(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC9=CN=CN9)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@@H]1CCCN1

InChI

InChI=1S/C205H299N65O75S10/c1-6-91(2)161(199(340)252-118(55-99-62-214-89-229-99)167(308)223-66-149(287)234-117(54-98-61-219-105-16-8-7-15-104(98)105)180(321)259-131(80-347)170(311)226-68-151(289)236-125(74-272)186(327)254-126(75-273)185(326)232-93(4)164(305)245-120(58-158(298)299)182(323)248-116(53-97-27-33-103(280)34-28-97)179(320)262-136(85-352)192(333)253-124(73-271)168(309)224-71-154(292)266-162(94(5)277)200(341)257-128(77-275)187(328)263-134(83-350)191(332)242-108(35-40-143(206)281)175(316)247-115(52-96-25-31-102(279)32-26-96)178(319)240-110(37-42-145(208)283)177(318)261-135(84-351)193(334)255-127(76-274)188(329)265-139(88-355)203(344)345)267-189(330)129(78-276)256-194(335)137(86-353)264-195(336)138(87-354)260-172(313)107(18-10-46-217-204(210)211)233-148(286)65-220-163(304)92(3)231-147(285)64-225-169(310)130(79-346)237-153(291)70-227-196(337)140-20-13-49-269(140)202(343)123(57-146(209)284)235-150(288)67-222-166(307)114(51-95-23-29-101(278)30-24-95)246-183(324)121(59-159(300)301)250-197(338)141-21-12-48-268(141)155(293)72-228-171(312)132(81-348)258-176(317)109(36-41-144(207)282)241-181(322)119(56-100-63-215-90-230-100)249-184(325)122(60-160(302)303)251-198(339)142-22-14-50-270(142)201(342)113(19-11-47-218-205(212)213)244-174(315)112(39-44-157(296)297)239-173(314)111(38-43-156(294)295)243-190(331)133(82-349)238-152(290)69-221-165(306)106-17-9-45-216-106/h7-8,15-16,23-34,61-63,89-94,106-142,161-162,216,219,271-280,346-355H,6,9-14,17-22,35-60,64-88H2,1-5H3,(H2,206,281)(H2,207,282)(H2,208,283)(H2,209,284)(H,214,229)(H,215,230)(H,220,304)(H,221,306)(H,222,307)(H,223,308)(H,224,309)(H,225,310)(H,226,311)(H,227,337)(H,228,312)(H,231,285)(H,232,326)(H,233,286)(H,234,287)(H,235,288)(H,236,289)(H,237,291)(H,238,290)(H,239,314)(H,240,319)(H,241,322)(H,242,332)(H,243,331)(H,244,315)(H,245,305)(H,246,324)(H,247,316)(H,248,323)(H,249,325)(H,250,338)(H,251,339)(H,252,340)(H,253,333)(H,254,327)(H,255,334)(H,256,335)(H,257,341)(H,258,317)(H,259,321)(H,260,313)(H,261,318)(H,262,320)(H,263,328)(H,264,336)(H,265,329)(H,266,292)(H,267,330)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,344,345)(H4,210,211,217)(H4,212,213,218)/t91-,92-,93-,94+,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,161-,162-/m0/s1

InChIKey

FNCOQORSAWRRKV-APFITLBTSA-N

Compound name

(4S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2R)-1-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[(2S)-2-[[2-[[(2R)-1-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2R)-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-[[(2S)-4-carboxy-2-[[(2R)-2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]butanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16144028