8(kprg)-tasp

Structural Information

Molecular Formula

C₂₁₆H₃₉₄N₈₆O₄₇

SMILES

C[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N)NC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)N)NC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)N)NC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)N)NC(=O)[C@@H]5CCCN5C(=O)CNC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCCN)N)NC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CCCCN)N)NC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CCCCN)N)NC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CCCCN)N)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C216H394N86O47/c1-128(208(348)349)277-172(312)126-275-175(315)138(59-10-26-92-251-164(304)118-267-176(316)140(67-34-100-259-209(235)236)285-192(332)155-76-43-109-295(155)200(340)129(225)51-2-18-84-217)279-186(326)149(62-13-29-95-254-167(307)121-270-179(319)143(70-37-103-262-212(241)242)288-195(335)158-79-46-112-298(158)203(343)132(228)54-5-21-87-220)282-189(329)152(65-16-32-98-257-170(310)124-273-182(322)146(73-40-106-265-215(247)248)291-198(338)161-82-49-115-301(161)206(346)135(231)57-8-24-90-223)284-190(330)153(66-17-33-99-258-171(311)125-274-183(323)147(74-41-107-266-216(249)250)292-199(339)162-83-50-116-302(162)207(347)136(232)58-9-25-91-224)293-191(331)154-75-42-108-294(154)173(313)127-276-184(324)139(60-11-27-93-252-165(305)119-268-177(317)141(68-35-101-260-210(237)238)286-193(333)156-77-44-110-296(156)201(341)130(226)52-3-19-85-218)280-187(327)150(63-14-30-96-255-168(308)122-271-180(320)144(71-38-104-263-213(243)244)289-196(336)159-80-47-113-299(159)204(344)133(229)55-6-22-88-221)283-188(328)151(64-15-31-97-256-169(309)123-272-181(321)145(72-39-105-264-214(245)246)290-197(337)160-81-48-114-300(160)205(345)134(230)56-7-23-89-222)281-185(325)148(278-174(314)137(233)117-163(234)303)61-12-28-94-253-166(306)120-269-178(318)142(69-36-102-261-211(239)240)287-194(334)157-78-45-111-297(157)202(342)131(227)53-4-20-86-219/h128-162H,2-127,217-233H2,1H3,(H2,234,303)(H,251,304)(H,252,305)(H,253,306)(H,254,307)(H,255,308)(H,256,309)(H,257,310)(H,258,311)(H,267,316)(H,268,317)(H,269,318)(H,270,319)(H,271,320)(H,272,321)(H,273,322)(H,274,323)(H,275,315)(H,276,324)(H,277,312)(H,278,314)(H,279,326)(H,280,327)(H,281,325)(H,282,329)(H,283,328)(H,284,330)(H,285,332)(H,286,333)(H,287,334)(H,288,335)(H,289,336)(H,290,337)(H,291,338)(H,292,339)(H,293,331)(H,348,349)(H4,235,236,259)(H4,237,238,260)(H4,239,240,261)(H4,241,242,262)(H4,243,244,263)(H4,245,246,264)(H4,247,248,265)(H4,249,250,266)/t128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-/m0/s1

InChIKey

SLNUQNBHNHEJDM-ZSABWNIOSA-N

Compound name

(2S)-2-[[2-[[(2S)-6-[[2-[[(2S)-5-carbamimidamido-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]-2-[[(2S)-6-[[2-[[(2S)-5-carbamimidamido-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]-2-[[(2S)-6-[[2-[[(2S)-5-carbamimidamido-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]-2-[[(2S)-6-[[2-[[(2S)-5-carbamimidamido-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]-2-[[(2S)-1-[2-[[(2S)-6-[[2-[[(2S)-5-carbamimidamido-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]-2-[[(2S)-6-[[2-[[(2S)-5-carbamimidamido-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]-2-[[(2S)-6-[[2-[[(2S)-5-carbamimidamido-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]-2-[[(2S)-6-[[2-[[(2S)-5-carbamimidamido-2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]propanoic acid

Related CIDs

• CID 16130762