[pppyveptttqc]4-spc

Structural Information

Molecular Formula

C₂₅₇H₃₉₁N₅₉O₈₁S₄

SMILES

C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)NCCCC[C@@H](C(=O)NCCCC[C@@H](C(=O)NCCC(=O)O)NC(=O)[C@H](CCCCNC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@@H]8CCCN8C(=O)[C@@H]9CCCN9C(=O)[C@@H]1CCCN1)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)O

InChI

InChI=1S/C257H391N59O81S4/c1-123(2)191(289-216(356)162(115-139-62-70-143(329)71-63-139)281-222(362)170-50-35-107-309(170)254(394)178-58-39-111-313(178)246(386)154-46-27-98-262-154)230(370)277-158(82-90-186(337)338)250(390)305-103-31-54-174(305)226(366)293-199(131(13)321)238(378)301-203(135(17)325)242(382)297-195(127(9)317)234(374)273-150(78-86-182(258)333)212(352)285-166(119-398)209(349)267-96-25-22-43-147(271-220(360)168(121-400)287-214(354)152(80-88-184(260)335)275-236(376)197(129(11)319)299-244(384)205(137(19)327)303-240(380)201(133(15)323)295-228(368)176-56-33-105-307(176)252(392)160(84-92-188(341)342)279-232(372)193(125(5)6)291-218(358)164(117-141-66-74-145(331)75-67-141)283-224(364)172-52-37-109-311(172)256(396)180-60-41-113-315(180)248(388)156-48-29-100-264-156)207(347)266-95-24-21-44-148(208(348)269-102-94-190(345)346)270-211(351)149(272-221(361)169(122-401)288-215(355)153(81-89-185(261)336)276-237(377)198(130(12)320)300-245(385)206(138(20)328)304-241(381)202(134(16)324)296-229(369)177-57-34-106-308(177)253(393)161(85-93-189(343)344)280-233(373)194(126(7)8)292-219(359)165(118-142-68-76-146(332)77-69-142)284-225(365)173-53-38-110-312(173)257(397)181-61-42-114-316(181)249(389)157-49-30-101-265-157)45-23-26-97-268-210(350)167(120-399)286-213(353)151(79-87-183(259)334)274-235(375)196(128(10)318)298-243(383)204(136(18)326)302-239(379)200(132(14)322)294-227(367)175-55-32-104-306(175)251(391)159(83-91-187(339)340)278-231(371)192(124(3)4)290-217(357)163(116-140-64-72-144(330)73-65-140)282-223(363)171-51-36-108-310(171)255(395)179-59-40-112-314(179)247(387)155-47-28-99-263-155/h62-77,123-138,147-181,191-206,262-265,317-332,398-401H,21-61,78-122H2,1-20H3,(H2,258,333)(H2,259,334)(H2,260,335)(H2,261,336)(H,266,347)(H,267,349)(H,268,350)(H,269,348)(H,270,351)(H,271,360)(H,272,361)(H,273,374)(H,274,375)(H,275,376)(H,276,377)(H,277,370)(H,278,371)(H,279,372)(H,280,373)(H,281,362)(H,282,363)(H,283,364)(H,284,365)(H,285,352)(H,286,353)(H,287,354)(H,288,355)(H,289,356)(H,290,357)(H,291,358)(H,292,359)(H,293,366)(H,294,367)(H,295,368)(H,296,369)(H,297,382)(H,298,383)(H,299,384)(H,300,385)(H,301,378)(H,302,379)(H,303,380)(H,304,381)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)/t127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,147+,148+,149+,150+,151+,152+,153+,154+,155+,156+,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+,191+,192+,193+,194+,195+,196+,197+,198+,199+,200+,201+,202+,203+,204+,205+,206+/m1/s1

InChIKey

LVKXNEFVQBLZQJ-ZIKRPLDJSA-N

Compound name

(4S)-5-[(2S)-2-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S)-5-amino-1-[[(2R)-1-[[(5S)-5-[[(2R)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-4-carboxy-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-1-[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2R)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-4-carboxy-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-1-[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]-6-(2-carboxyethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-1-[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130177