.alpha.1-at

Structural Information

Molecular Formula

C₂₇₄H₄₃₃N₆₅O₇₇S₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]8CCCN8C(=O)[C@@H]9CCCN9C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C274H433N65O77S4/c1-32-148(18)218(264(405)306-173(95-102-211(359)360)236(377)298-168(90-97-200(282)345)238(379)316-190(134-203(285)348)253(394)332-222(156(26)343)266(407)305-167(81-53-59-111-278)234(375)323-193(140-341)270(411)336-116-63-85-195(336)257(398)318-183(126-143(8)9)246(387)315-184(127-158-68-40-35-41-69-158)247(388)300-175(104-120-417-28)230(371)288-137-206(351)294-165(79-51-57-109-276)241(382)326-217(147(16)17)263(404)328-216(146(14)15)262(403)321-191(135-204(286)349)269(410)335-115-64-88-198(335)259(400)333-223(157(27)344)267(408)307-169(91-98-201(283)346)237(378)310-180(274(415)416)83-55-61-113-280)329-243(384)178(107-123-420-31)301-245(386)182(125-142(6)7)312-250(391)187(130-161-74-46-38-47-75-161)320-261(402)215(145(12)13)327-252(393)188(131-162-76-48-39-49-77-162)319-258(399)194-84-62-114-334(194)268(409)179(82-54-60-112-279)309-251(392)189(133-202(284)347)317-249(390)186(129-160-72-44-37-45-73-160)313-233(374)166(80-52-58-110-277)304-260(401)214(144(10)11)325-242(383)174(96-103-212(361)362)302-255(396)196-86-65-117-337(196)271(412)199-89-67-119-339(199)273(414)220(150(20)34-3)331-254(395)192(139-340)322-240(381)177(106-122-419-30)303-256(397)197-87-66-118-338(197)272(413)219(149(19)33-2)330-227(368)154(24)293-231(372)170(92-99-208(353)354)299-244(385)181(124-141(4)5)311-248(389)185(128-159-70-42-36-43-71-159)314-239(380)176(105-121-418-29)295-226(367)152(22)290-205(350)136-287-224(365)151(21)291-225(366)153(23)292-232(373)171(93-100-209(355)356)308-265(406)221(155(25)342)324-207(352)138-289-229(370)164(78-50-56-108-275)297-235(376)172(94-101-210(357)358)296-228(369)163(281)132-213(363)364/h35-49,68-77,141-157,163-199,214-223,340-344H,32-34,50-67,78-140,275-281H2,1-31H3,(H2,282,345)(H2,283,346)(H2,284,347)(H2,285,348)(H2,286,349)(H,287,365)(H,288,371)(H,289,370)(H,290,350)(H,291,366)(H,292,373)(H,293,372)(H,294,351)(H,295,367)(H,296,369)(H,297,376)(H,298,377)(H,299,385)(H,300,388)(H,301,386)(H,302,396)(H,303,397)(H,304,401)(H,305,407)(H,306,405)(H,307,408)(H,308,406)(H,309,392)(H,310,378)(H,311,389)(H,312,391)(H,313,374)(H,314,380)(H,315,387)(H,316,379)(H,317,390)(H,318,398)(H,319,399)(H,320,402)(H,321,403)(H,322,381)(H,323,375)(H,324,352)(H,325,383)(H,326,382)(H,327,393)(H,328,404)(H,329,384)(H,330,368)(H,331,395)(H,332,394)(H,333,400)(H,353,354)(H,355,356)(H,357,358)(H,359,360)(H,361,362)(H,363,364)(H,415,416)/t148-,149-,150-,151-,152-,153-,154-,155+,156+,157+,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,214-,215-,216-,217-,218-,219-,220-,221-,222-,223-/m0/s1

InChIKey

UPYBTSCWHBTDMD-QUHMANLVSA-N

Compound name

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

Related CIDs

• CID 16729381