[ac-cys-phe-ala-tyr-ile-ala-arg-pro-leu-pro-arg-ala-his-ile-lys-glu-tyr-phe-tyr-nh2]2

Structural Information

Molecular Formula

C₂₃₂H₃₃₂N₅₈O₅₀S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)N)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](C)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CC9=CC=CC=C9)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)C)NC(=O)C

InChI

InChI=1S/C232H332N58O50S2/c1-21-127(9)187(221(333)257-135(17)193(305)267-163(61-43-99-249-231(241)242)225(337)287-101-45-65-183(287)219(331)281-177(105-125(5)6)227(339)289-103-47-63-181(289)217(329)263-159(59-41-97-247-229(237)238)199(311)253-131(13)197(309)273-175(117-149-119-245-123-251-149)213(325)285-189(129(11)23-3)223(335)265-157(57-37-39-95-233)201(313)261-161(91-93-185(299)300)203(315)275-171(113-145-71-83-153(295)84-72-145)209(321)277-169(111-141-53-33-27-34-54-141)207(319)269-165(191(235)303)107-143-67-79-151(293)80-68-143)283-211(323)173(115-147-75-87-155(297)88-76-147)271-195(307)133(15)255-205(317)167(109-139-49-29-25-30-50-139)279-215(327)179(259-137(19)291)121-341-342-122-180(260-138(20)292)216(328)280-168(110-140-51-31-26-32-52-140)206(318)256-134(16)196(308)272-174(116-148-77-89-156(298)90-78-148)212(324)284-188(128(10)22-2)222(334)258-136(18)194(306)268-164(62-44-100-250-232(243)244)226(338)288-102-46-66-184(288)220(332)282-178(106-126(7)8)228(340)290-104-48-64-182(290)218(330)264-160(60-42-98-248-230(239)240)200(312)254-132(14)198(310)274-176(118-150-120-246-124-252-150)214(326)286-190(130(12)24-4)224(336)266-158(58-38-40-96-234)202(314)262-162(92-94-186(301)302)204(316)276-172(114-146-73-85-154(296)86-74-146)210(322)278-170(112-142-55-35-28-36-56-142)208(320)270-166(192(236)304)108-144-69-81-152(294)82-70-144/h25-36,49-56,67-90,119-120,123-136,157-184,187-190,293-298H,21-24,37-48,57-66,91-118,121-122,233-234H2,1-20H3,(H2,235,303)(H2,236,304)(H,245,251)(H,246,252)(H,253,311)(H,254,312)(H,255,317)(H,256,318)(H,257,333)(H,258,334)(H,259,291)(H,260,292)(H,261,313)(H,262,314)(H,263,329)(H,264,330)(H,265,335)(H,266,336)(H,267,305)(H,268,306)(H,269,319)(H,270,320)(H,271,307)(H,272,308)(H,273,309)(H,274,310)(H,275,315)(H,276,316)(H,277,321)(H,278,322)(H,279,327)(H,280,328)(H,281,331)(H,282,332)(H,283,323)(H,284,324)(H,285,325)(H,286,326)(H,299,300)(H,301,302)(H4,237,238,247)(H4,239,240,248)(H4,241,242,249)(H4,243,244,250)/t127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,187-,188-,189-,190-/m0/s1

InChIKey

BZQKBZAQXSCYKY-JNYHXRPBSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-[[(2R)-2-acetamido-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]disulfanyl]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130713