Rhdessdepses

Structural Information

Molecular Formula

C₅₂H₇₉N₁₇O₂₇

SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCCN=C(N)N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O

InChI

InChI=1S/C52H79N17O27/c53-23(3-1-11-57-52(54)55)40(84)62-27(13-22-16-56-21-58-22)43(87)63-28(14-38(80)81)44(88)59-24(5-8-35(74)75)41(85)65-31(18-71)48(92)66-30(17-70)47(91)64-29(15-39(82)83)45(89)61-26(7-10-37(78)79)50(94)69-12-2-4-34(69)49(93)67-32(19-72)46(90)60-25(6-9-36(76)77)42(86)68-33(20-73)51(95)96/h16,21,23-34,70-73H,1-15,17-20,53H2,(H,56,58)(H,59,88)(H,60,90)(H,61,89)(H,62,84)(H,63,87)(H,64,91)(H,65,85)(H,66,92)(H,67,93)(H,68,86)(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,95,96)(H4,54,55,57)/t23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1

InChIKey

HMDLDTSPCFYASR-RRBJLHMGSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-4-carboxy-1-[(2S)-2-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 49777385