188585-60-6

Structural Information

Molecular Formula

C₇₁H₁₁₉N₂₅O₂₅S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CS)NC(=O)[C@H](C(C)C)N)O

InChI

InChI=1S/C71H119N25O25S/c1-31(2)20-43(70(120)121)83-51(103)26-81-67(117)54(33(5)6)94-61(111)41(23-49(74)101)89-60(110)40(22-48(73)100)88-57(107)38(15-16-52(104)105)85-65(115)47-14-11-19-96(47)69(119)42(24-50(75)102)90-63(113)45(28-98)91-56(106)37(13-10-18-80-71(77)78)86-68(118)55(34(7)99)95-58(108)36(12-8-9-17-72)84-62(112)44(27-97)92-59(109)39(21-35-25-79-30-82-35)87-64(114)46(29-122)93-66(116)53(76)32(3)4/h25,30-34,36-47,53-55,97-99,122H,8-24,26-29,72,76H2,1-7H3,(H2,73,100)(H2,74,101)(H2,75,102)(H,79,82)(H,81,117)(H,83,103)(H,84,112)(H,85,115)(H,86,118)(H,87,114)(H,88,107)(H,89,110)(H,90,113)(H,91,106)(H,92,109)(H,93,116)(H,94,111)(H,95,108)(H,104,105)(H,120,121)(H4,77,78,80)/t34-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,53+,54+,55+/m1/s1

InChIKey

ZURLXEKAEXGFKH-MIQMBZKASA-N

Compound name

(2S)-2-[[2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 25088483