Sd1(1-48)cys7ser

Structural Information

Molecular Formula

C₁₉₈H₃₀₀N₆₈O₇₄S₄

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N3)CC4=CC=CC=C4)CO)CO)CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]5CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N5)CCC(=O)N)CCCCN)CC(=O)N)CC(=O)N)CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]6CCCN6C(=O)CNC(=O)CNC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC8=CNC9=CC=CC=C98)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)CN)O

InChI

InChI=1S/C198H300N68O74S4/c1-88(156(301)231-102(31-17-51-218-198(214)215)167(312)260-154(91(4)275)192(337)258-128-87-344-341-84-125(257-168(313)107(57-93-23-7-6-8-24-93)229-145(289)72-223-161(306)119(78-268)249-179(324)122(81-271)251-180(325)123(82-272)253-184(128)329)181(326)235-103(41-44-134(202)278)158(303)221-73-146(290)259-153(90(3)274)190(335)254-124(83-273)176(321)234-100(29-15-49-216-196(210)211)164(309)238-106(28-12-14-48-200)193(338)266-56-22-36-133(266)188(333)248-117(67-151(297)298)195(340)265-55-21-33-130(265)186(331)226-76-152(299)300)227-144(288)71-222-159(304)115(66-150(295)296)244-182(327)126-85-342-343-86-127(183(328)252-121(80-270)178(323)243-113(63-139(207)283)174(319)242-111(61-137(205)281)171(316)232-99(27-11-13-47-199)163(308)236-104(166(311)256-126)42-45-135(203)279)255-165(310)101(30-16-50-217-197(212)213)233-173(318)114(64-140(208)284)245-187(332)131-34-18-52-262(131)147(291)74-220-143(287)70-224-185(330)129-32-20-54-264(129)194(339)116(65-141(209)285)247-175(320)110(60-136(204)280)239-157(302)89(2)228-162(307)105(43-46-149(293)294)237-172(317)112(62-138(206)282)241-170(315)109(59-95-69-219-98-26-10-9-25-97(95)98)240-177(322)120(79-269)250-169(314)108(58-94-37-39-96(277)40-38-94)246-191(336)155(92(5)276)261-189(334)132-35-19-53-263(132)148(292)75-225-160(305)118(77-267)230-142(286)68-201/h6-10,23-26,37-40,69,88-92,99-133,153-155,219,267-277H,11-22,27-36,41-68,70-87,199-201H2,1-5H3,(H2,202,278)(H2,203,279)(H2,204,280)(H2,205,281)(H2,206,282)(H2,207,283)(H2,208,284)(H2,209,285)(H,220,287)(H,221,303)(H,222,304)(H,223,306)(H,224,330)(H,225,305)(H,226,331)(H,227,288)(H,228,307)(H,229,289)(H,230,286)(H,231,301)(H,232,316)(H,233,318)(H,234,321)(H,235,326)(H,236,308)(H,237,317)(H,238,309)(H,239,302)(H,240,322)(H,241,315)(H,242,319)(H,243,323)(H,244,327)(H,245,332)(H,246,336)(H,247,320)(H,248,333)(H,249,324)(H,250,314)(H,251,325)(H,252,328)(H,253,329)(H,254,335)(H,255,310)(H,256,311)(H,257,313)(H,258,337)(H,259,290)(H,260,312)(H,261,334)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H4,210,211,216)(H4,212,213,217)(H4,214,215,218)/t88-,89-,90+,91+,92+,99-,100-,101-,102-,103-,104-,105-,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-,153-,154-,155-/m0/s1

InChIKey

FTKNYLAJRKWJGW-VSAGDBIRSA-N

Compound name

(4S)-4-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[(2S)-2-[[2-[[2-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-1-[[(4R,7S,10S,13S,16S,19S,22R)-4-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(4R,7S,13S,16S,19S,22R)-4-[[(2S)-5-amino-1-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-3-carboxy-1-[(2S)-2-(carboxymethylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-7-benzyl-13,16,19-tris(hydroxymethyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]-10-(4-aminobutyl)-13,16-bis(2-amino-2-oxoethyl)-7-(3-amino-3-oxopropyl)-19-(hydroxymethyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricos-22-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16186171