Nh2-leu-gly-met-thr-his-cys-cys-ile-asn-pro-ile-ile-tyr-ala-phe-val-gly-glu-lys-phe-arg-asn-tyr-leu-cooh

Structural Information

Molecular Formula

C₁₂₉H₁₉₆N₃₂O₃₂S₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C129H196N32O32S3/c1-16-69(10)103(157-120(184)95(64-195)155-119(183)94(63-194)154-116(180)90(57-78-60-136-65-140-78)151-126(190)106(73(14)162)160-112(176)85(46-50-196-15)143-99(167)61-138-108(172)81(131)51-66(4)5)124(188)152-92(59-98(133)166)127(191)161-49-28-35-96(161)121(185)158-105(71(12)18-3)125(189)159-104(70(11)17-2)123(187)150-86(55-76-36-40-79(163)41-37-76)113(177)141-72(13)107(171)146-89(54-75-31-23-20-24-32-75)118(182)156-102(68(8)9)122(186)139-62-100(168)142-84(44-45-101(169)170)111(175)144-82(33-25-26-47-130)109(173)147-87(53-74-29-21-19-22-30-74)114(178)145-83(34-27-48-137-129(134)135)110(174)149-91(58-97(132)165)117(181)148-88(56-77-38-42-80(164)43-39-77)115(179)153-93(128(192)193)52-67(6)7/h19-24,29-32,36-43,60,65-73,81-96,102-106,162-164,194-195H,16-18,25-28,33-35,44-59,61-64,130-131H2,1-15H3,(H2,132,165)(H2,133,166)(H,136,140)(H,138,172)(H,139,186)(H,141,177)(H,142,168)(H,143,167)(H,144,175)(H,145,178)(H,146,171)(H,147,173)(H,148,181)(H,149,174)(H,150,187)(H,151,190)(H,152,188)(H,153,179)(H,154,180)(H,155,183)(H,156,182)(H,157,184)(H,158,185)(H,159,189)(H,160,176)(H,169,170)(H,192,193)(H4,134,135,137)/t69-,70-,71-,72-,73+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,102-,103-,104-,105-,106-/m0/s1

InChIKey

YDDRJZUDTHOTKP-OYDJYNJYSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16728445